3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno(

Modify Date: 2025-09-27 20:06:03

3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno( Structure
3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno( structure
 Common Name 3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno(
CAS Number 89567-03-3 Molecular Weight 254.73600
Density 1.64g/cm3 Boiling Point N/A
Molecular Formula C11H11ClN2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-(chloromethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.64g/cm3
Molecular Formula C11H11ClN2OS
Molecular Weight 254.73600
Exact Mass 254.02800
PSA 74.25000
LogP 3.01450
Index of Refraction 1.781
InChIKey GDHMBNWVLWMONW-UHFFFAOYSA-N
SMILES O=c1[nH]c(CCl)nc2sc3c(c12)CCCC3

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL8354500
CHEMICAL NAME :
(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(chloromethyl)-
CAS REGISTRY NUMBER :
89567-03-3
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C11-H11-Cl-N2-O-S
MOLECULAR WEIGHT :
254.75

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>9 gm/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes Musculoskeletal - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 40,567,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes Musculoskeletal - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 40,567,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3500 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes Musculoskeletal - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 40,567,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes Musculoskeletal - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 40,567,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes Musculoskeletal - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 40,567,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2600 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes Musculoskeletal - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 40,567,1990

 Safety Information

HS Code 2934999090

 Synthetic Route

ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure

ETHYL 2-AMINO-4...

CAS#:4506-71-2

2-chloroacetonitrile structure

2-chloroacetonitrile

CAS#:107-14-2

~87%

3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno( Structure

3-d)pyrimidin-4...

CAS#:89567-03-3

Literature: Jain, Kishor S.; Bariwal, Jitender B.; Phoujdar, Manisha S.; Nagras, Madhuri A.; Amrutkar, Rakesh D.; Munde, Manoj K.; Tamboli, Riyaj S.; Khedkar, Samrat A.; Khiste, Rahul H.; Vidyasagar, Nikhil C.; Dabholkar, Vinit V.; Kathiravan Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 2 p. 178 - 185
2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure

2-[(2-chloroace...

CAS#:20886-87-7

~83%

3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno( Structure

3-d)pyrimidin-4...

CAS#:89567-03-3

Literature: Kanwar, Seema; Sharma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 11 p. 2367 - 2371
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1

~%

3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno( Structure

3-d)pyrimidin-4...

CAS#:89567-03-3

Literature: Kanwar, Seema; Sharma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 11 p. 2367 - 2371
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure

2-Amino-4,5,6,7...

CAS#:4815-28-5

~%

3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno( Structure

3-d)pyrimidin-4...

CAS#:89567-03-3

Literature: Kanwar, Seema; Sharma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 11 p. 2367 - 2371

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-indu...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL5234731
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082
Name: Hit confirmation of the active molecules of the enzymatic assay of human HDAC6 with c...
Source: ChEMBL
Target: Histone deacetylase 6
External Id: CHEMBL4808151
Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303805
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with cu...
Source: ChEMBL
Target: Histone deacetylase 6
External Id: CHEMBL4808152
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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 Synonyms

5,5-Dimethyl-2-chlormethyl-1,3-dioxan
5,5-Dimethyl-2-chlormethyl-m-dioxan
2-chloromethyl-5,5-dimethyl-1,3-dioxane
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Chemsrc provides CAS#:89567-03-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno(>> amp version: 3-d)pyrimidin-4(1h)-one,5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno(

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