4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,2,3,7-tetrahydro-2-thioxo

Modify Date: 2026-07-07 21:42:39

4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,2,3,7-tetrahydro-2-thioxo Structure
4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,2,3,7-tetrahydro-2-thioxo structure
Common Name 4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,2,3,7-tetrahydro-2-thioxo
CAS Number 67831-84-9 Molecular Weight 167.18800
Density 1.65g/cm3 Boiling Point N/A
Molecular Formula C6H5N3OS Melting Point N/A
MSDS USA Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-Mercapto-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.65g/cm3
Molecular Formula C6H5N3OS
Molecular Weight 167.18800
Exact Mass 167.01500
PSA 100.34000
LogP 0.53990
Index of Refraction 1.778
InChIKey QCZHCRBHXAFBDJ-UHFFFAOYSA-N
SMILES O=c1[nH]c(=S)[nH]c2[nH]ccc12

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
RIDADR NONH for all modes of transport
HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen 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: Inhibition of Escherichia coli thymidine phosphorylase at 45 uM
Source: ChEMBL
Target: Thymidine phosphorylase
External Id: CHEMBL996970
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 Synonyms

2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
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