4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine

C8H6N6S2 — CID 47129940

IUPAC4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2ccsc12
InChIInChI=1S/C8H6N6S2/c1-14-8(11-12-13-14)16-7-6-5(2-3-15-6)9-4-10-7/h2-4H,1H3
InChIKeyFMCPHGQEFUOFHW-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.37
Rot. Bonds2

About 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine

4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine (PubChem CID 47129940) has the molecular formula C8H6N6S2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine
PubChem CID47129940
Molecular FormulaC8H6N6S2
Molecular Weight250.31 g/mol
Exact Mass250.01
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2ccsc12
InChIInChI=1S/C8H6N6S2/c1-14-8(11-12-13-14)16-7-6-5(2-3-15-6)9-4-10-7/h2-4H,1H3
InChIKeyFMCPHGQEFUOFHW-UHFFFAOYSA-N
XLogP1.37
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine (CID 47129940) is 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine is Cn1nnnc1Sc1ncnc2ccsc12.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine?
The InChIKey is FMCPHGQEFUOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S2/c1-14-8(11-12-13-14)16-7-6-5(2-3-15-6)9-4-10-7/h2-4H,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine?
4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine has a molecular weight of 250.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 47129940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).