4H-1-Benzothiopyran-4-one,2,3-dihydro-, oxime

Modify Date: 2025-08-25 19:14:44

4H-1-Benzothiopyran-4-one,2,3-dihydro-, oxime Structure
4H-1-Benzothiopyran-4-one,2,3-dihydro-, oxime structure
Common Name 4H-1-Benzothiopyran-4-one,2,3-dihydro-, oxime
CAS Number 15857-68-8 Molecular Weight 179.23900
Density 1.30±0.1 g/cm3(Predicted) Boiling Point 344.3±22.0 °C(Predicted)
Molecular Formula C9H9NOS Melting Point 98-100 °C
MSDS N/A Flash Point N/A

 Names

Name N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.30±0.1 g/cm3(Predicted)
Boiling Point 344.3±22.0 °C(Predicted)
Melting Point 98-100 °C
Molecular Formula C9H9NOS
Molecular Weight 179.23900
Exact Mass 179.04000
PSA 57.89000
LogP 2.36070
InChIKey RARVWGVWROHFMP-NTMALXAHSA-N
SMILES ON=C1CCSc2ccccc21
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK6350000
CHEMICAL NAME :
Thiochroman-4-one, oxime
CAS REGISTRY NUMBER :
15857-68-8
BEILSTEIN REFERENCE NO. :
0140955
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N-O-S
MOLECULAR WEIGHT :
179.25
WISWESSER LINE NOTATION :
T66 BS EYT&J EUNQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05725

 Safety Information

HS Code 2932999099

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: A screen for small molecule inhibitors of the human deubiquitinating enzyme, UCH37
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ubiquitin C-terminal hydrolase UCH37 [Homo sapiens]
External Id: HMS937_MLP
Name: A screen for compounds that inhibit growth of Escherichia coli
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1158_MLP
Name: A screen for compounds that are lethal to S. aureus RN4220
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1364-MLP_WT
Name: A screen for compounds that are lethal to S. aureus RN4220 with the processive glycos...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1364-MLP_ugtP
Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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 Synonyms

2,3-Dihydro-4H-1-benzothiopyran-4-one oxime
Thiochroman-4-one,oxime
EINECS 239-979-6
1-Thiochrome,oxime
Thiachromanon-4-oxim
Thiochroman-4-on-oxim
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