2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C9H10N2OS2 — CID 156597537

IUPAC2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCSc1nc2scc(C)c2c(=O)[nH]1
InChIInChI=1S/C9H10N2OS2/c1-3-13-9-10-7(12)6-5(2)4-14-8(6)11-9/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyQOOQGCBDPXKMER-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.41
Rot. Bonds2

About 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 156597537) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID156597537
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCSc1nc2scc(C)c2c(=O)[nH]1
InChIInChI=1S/C9H10N2OS2/c1-3-13-9-10-7(12)6-5(2)4-14-8(6)11-9/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyQOOQGCBDPXKMER-UHFFFAOYSA-N
XLogP2.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-ethylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 3394260
5-bromo-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 73012839
2-[(5-bromothiophen-2-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 141158369
5-iodo-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 73012862
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7171575
3-[[5-(2,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid
CID 28900696
2-butylsulfanyl-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7309625
2-[[5-(4-ethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899485
2-[[5-(4-chloro-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899537
2-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 97026027
2-(2-methylpropylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7587993
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2075669

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 156597537) is 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCSc1nc2scc(C)c2c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QOOQGCBDPXKMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-3-13-9-10-7(12)6-5(2)4-14-8(6)11-9/h4H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 226.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 156597537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).