(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol

C7H12N2OS — CID 1475693

IUPAC(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol
SMILESCCSc1ncc(CO)n1C
InChIInChI=1S/C7H12N2OS/c1-3-11-7-8-4-6(5-10)9(7)2/h4,10H,3,5H2,1-2H3
InChIKeyVPYMPZGALQAUAI-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.02
Rot. Bonds3

About (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol

(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol (PubChem CID 1475693) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol
PubChem CID1475693
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol
SMILESCCSc1ncc(CO)n1C
InChIInChI=1S/C7H12N2OS/c1-3-11-7-8-4-6(5-10)9(7)2/h4,10H,3,5H2,1-2H3
InChIKeyVPYMPZGALQAUAI-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol?
The IUPAC name of (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol (CID 1475693) is (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol is CCSc1ncc(CO)n1C.
What is the InChIKey of (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol?
The InChIKey is VPYMPZGALQAUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-11-7-8-4-6(5-10)9(7)2/h4,10H,3,5H2,1-2H3.
What are the key properties of (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol?
(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol has a molecular weight of 172.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 1475693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).