4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine

C14H11ClN2S2 — CID 95528658

IUPAC4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCCSc1nc(Cl)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C14H11ClN2S2/c1-2-18-14-16-12(15)10-8-11(19-13(10)17-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyOMBWGUBXNQKQMQ-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.12
Rot. Bonds3

About 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine

4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 95528658) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
PubChem CID95528658
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCCSc1nc(Cl)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C14H11ClN2S2/c1-2-18-14-16-12(15)10-8-11(19-13(10)17-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyOMBWGUBXNQKQMQ-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol
CID 82065842
2-chloro-3-ethylsulfanyl-5-phenylpyridine
CID 146231750
2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione
CID 110172519
4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
N-(butan-2-ylideneamino)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4640728
2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 93214406
2-[(3-chlorophenyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888382
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300
2-(1-chloroethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065003
2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772562

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine (CID 95528658) is 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine is CCSc1nc(Cl)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is OMBWGUBXNQKQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c1-2-18-14-16-12(15)10-8-11(19-13(10)17-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 306.84 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 95528658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).