4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine

C7H7ClN2S2 — CID 66545457

IUPAC4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)CCS2
InChIInChI=1S/C7H7ClN2S2/c1-11-7-9-4-2-3-12-5(4)6(8)10-7/h2-3H2,1H3
InChIKeyAJXJCHRCLIWVKW-UHFFFAOYSA-N
MW218.73 g/mol
LogP2.50
Rot. Bonds1

About 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine

4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 66545457) has the molecular formula C7H7ClN2S2 and a molecular weight of 218.73 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID66545457
Molecular FormulaC7H7ClN2S2
Molecular Weight218.73 g/mol
Exact Mass217.97
IUPAC Name4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)CCS2
InChIInChI=1S/C7H7ClN2S2/c1-11-7-9-4-2-3-12-5(4)6(8)10-7/h2-3H2,1H3
InChIKeyAJXJCHRCLIWVKW-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 45789967
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-D]pyrimidine
CID 89487335
2,4-dichloro-6H,7H-5lambda6-thieno(3,2-d)pyrimidine-5,5-dione
CID 112756466
4-Chloro-2-(1,1-difluoropropyl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 177793523
2,4-Dichloro-7,8-dihydro-6H-thiopyrano[3,2-D]pyrimidine
CID 13307214
4-Chloro-2-ethyl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 15055735
5-Chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine
CID 18711496
4-Chloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 53745646
4-Chloro-2-methylsulfanyl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 59722521
4-Chloro-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 88309746
4-Chloro-6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
CID 89028622
4-Chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 89391435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine (CID 66545457) is 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine is CSc1nc(Cl)c2c(n1)CCS2.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is AJXJCHRCLIWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S2/c1-11-7-9-4-2-3-12-5(4)6(8)10-7/h2-3H2,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine?
4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 218.73 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 66545457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).