2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

C9H8N2O2S2 — CID 4737003

IUPAC2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1cc2c(SCC(=O)O)ncnc2s1
InChIInChI=1S/C9H8N2O2S2/c1-5-2-6-8(14-3-7(12)13)10-4-11-9(6)15-5/h2,4H,3H2,1H3,(H,12,13)
InChIKeyUADAVIOFIOBDAS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.18
Rot. Bonds3

About 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 4737003) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID4737003
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1cc2c(SCC(=O)O)ncnc2s1
InChIInChI=1S/C9H8N2O2S2/c1-5-2-6-8(14-3-7(12)13)10-4-11-9(6)15-5/h2,4H,3H2,1H3,(H,12,13)
InChIKeyUADAVIOFIOBDAS-UHFFFAOYSA-N
XLogP2.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ttp 22
CID 1536915
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
3-((6-Ethylthieno(2,3-d)pyrimidin-4-yl)amino)propanoic acid
CID 647613
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
2-(Thieno(2,3-d)pyrimidin-4-ylsulfanyl)acetic acid
CID 2095458
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
({6-[4-(Methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 56675920
2-[5-Methyl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 156016543
2-((5-(4-Methylphenyl)thieno(2,3-d)pyrimidin-4-yl)thio)acetic acid
CID 744736
2-((5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetic acid
CID 746456

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 4737003) is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is Cc1cc2c(SCC(=O)O)ncnc2s1.
What is the InChIKey of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is UADAVIOFIOBDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-5-2-6-8(14-3-7(12)13)10-4-11-9(6)15-5/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 240.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 4737003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).