3-methyl-4-thiophen-2-ylthian-4-ol

C10H14OS2 — CID 10656290

IUPAC3-methyl-4-thiophen-2-ylthian-4-ol
SMILESCC1CSCCC1(O)c1cccs1
InChIInChI=1S/C10H14OS2/c1-8-7-12-6-4-10(8,11)9-3-2-5-13-9/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyCPIFMUWUCKBYNS-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.71
Rot. Bonds1

About 3-methyl-4-thiophen-2-ylthian-4-ol

3-methyl-4-thiophen-2-ylthian-4-ol (PubChem CID 10656290) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-4-thiophen-2-ylthian-4-ol.

Molecular Properties

Compound Name3-methyl-4-thiophen-2-ylthian-4-ol
PubChem CID10656290
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name3-methyl-4-thiophen-2-ylthian-4-ol
SMILESCC1CSCCC1(O)c1cccs1
InChIInChI=1S/C10H14OS2/c1-8-7-12-6-4-10(8,11)9-3-2-5-13-9/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyCPIFMUWUCKBYNS-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-thiophen-2-ylthian-4-ol?
The IUPAC name of 3-methyl-4-thiophen-2-ylthian-4-ol (CID 10656290) is 3-methyl-4-thiophen-2-ylthian-4-ol.
What is the SMILES notation for 3-methyl-4-thiophen-2-ylthian-4-ol?
The canonical SMILES for 3-methyl-4-thiophen-2-ylthian-4-ol is CC1CSCCC1(O)c1cccs1.
What is the InChIKey of 3-methyl-4-thiophen-2-ylthian-4-ol?
The InChIKey is CPIFMUWUCKBYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-8-7-12-6-4-10(8,11)9-3-2-5-13-9/h2-3,5,8,11H,4,6-7H2,1H3.
What are the key properties of 3-methyl-4-thiophen-2-ylthian-4-ol?
3-methyl-4-thiophen-2-ylthian-4-ol has a molecular weight of 214.35 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-thiophen-2-ylthian-4-ol is sourced from PubChem (CID 10656290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).