3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Modify Date: 2025-09-18 18:00:23

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure
3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure
 Common Name 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS Number 42076-13-1 Molecular Weight 314.42500
Density 1.45g/cm3 Boiling Point 522.9ºC at 760 mmHg
Molecular Formula C16H14N2OS2 Melting Point N/A
MSDS N/A Flash Point 270ºC

 Names

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

 Chemical & Physical Properties

Density 1.45g/cm3
Boiling Point 522.9ºC at 760 mmHg
Molecular Formula C16H14N2OS2
Molecular Weight 314.42500
Flash Point 270ºC
Exact Mass 314.05500
PSA 101.93000
LogP 3.61470
Index of Refraction 1.75
InChIKey VVTUPMPBYOGHJF-UHFFFAOYSA-N
SMILES O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)CCCC3

 Safety Information

HS Code 2934999090

 Synthetic Route

Phenyl isothiocyanate structure

Phenyl isothioc...

CAS#:103-72-0

2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure

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

CAS#:4815-28-5

~73%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Mohareb, Rafat M.; Sherif, Sherif M.; Gaber, Hatem M.; Ghabrial, Sami S.; Aziz, Susan I. Heteroatom Chemistry, 2003 , vol. 14, # 5 p. 459 - 467
ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

ethyl 2-(phenyl...

CAS#:42076-12-0

~42%

2-hydrazino-3-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno-[2,3-d]pyrimidin-4(3H)-one structure

2-hydrazino-3-p...

CAS#:142465-12-1

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2-(phenylamino)- structure

(1)Benzothieno(...

CAS#:168280-54-4

Literature: El-Sherief, Hassan A. H.; El-Naggar, Galal M.; Hozien, Zeinab A.; El-Sawaisi, Suliman M. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 2 p. 467 - 473
ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

ethyl 2-(phenyl...

CAS#:42076-12-0

~%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Wang, Ke; Li, Jinfeng; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1455 - 1465
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure

ETHYL 2-AMINO-4...

CAS#:4506-71-2

~%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Wang, Ke; Li, Jinfeng; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1455 - 1465
Phenyl isothiocyanate structure

Phenyl isothioc...

CAS#:103-72-0

~%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Wang, Ke; Li, Jinfeng; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1455 - 1465
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Phenyl isothiocyanate structure

Phenyl isothioc...

CAS#:103-72-0

~27%

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Structure

3-phenyl-2-sulf...

CAS#:42076-13-1

Literature: Ram; Pandey; Vlietinck Journal of Heterocyclic Chemistry, 1981 , vol. 18, # 7 p. 1277 - 1280

 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%

 Synonyms

2-mercapto-3-phenyl-4-oxo-5,6-tetramethylenothieno<2,3-d>pyrimidine
3-phenyl-2-thio-4-oxo-3,4,5,6,7,8-hexahydrobenzo<b>thieno<2,3-d>pyrimidine
2-Mercapto-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
2-mercapto-3-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno-[2,3-d]pyrimidin-4(3H)-one
2-mercapto-3-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimid-4(3H)-one
3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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Chemsrc provides CAS#:42076-13-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one>> amp version: 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

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