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

C14H12N2S2 — CID 7674132

IUPAC4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H12N2S2/c1-2-17-13-11-8-12(10-6-4-3-5-7-10)18-14(11)16-9-15-13/h3-9H,2H2,1H3
InChIKeyHUYDVEHLNWAKOK-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.47
Rot. Bonds3

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

4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 7674132) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
PubChem CID7674132
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H12N2S2/c1-2-17-13-11-8-12(10-6-4-3-5-7-10)18-14(11)16-9-15-13/h3-9H,2H2,1H3
InChIKeyHUYDVEHLNWAKOK-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 112783394
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
CID 60613933
4-[(3-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 16541507
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
4-[(3-bromophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 28953931
6-phenyl-4-(1,3-thiazol-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
CID 9437389
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 7906124
N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2090541
2-[6-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162676425
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 7674140

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine (CID 7674132) is 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine is CCSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is HUYDVEHLNWAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-2-17-13-11-8-12(10-6-4-3-5-7-10)18-14(11)16-9-15-13/h3-9H,2H2,1H3.
What are the key properties of 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine?
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 272.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 7674132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).