(2-propylsulfanylimidazol-1-yl)methanol

C7H12N2OS — CID 19024601

IUPAC(2-propylsulfanylimidazol-1-yl)methanol
SMILESCCCSc1nccn1CO
InChIInChI=1S/C7H12N2OS/c1-2-5-11-7-8-3-4-9(7)6-10/h3-4,10H,2,5-6H2,1H3
InChIKeyZLUHSYXHFJBJSF-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.34
Rot. Bonds4

About (2-propylsulfanylimidazol-1-yl)methanol

(2-propylsulfanylimidazol-1-yl)methanol (PubChem CID 19024601) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (2-propylsulfanylimidazol-1-yl)methanol.

Molecular Properties

Compound Name(2-propylsulfanylimidazol-1-yl)methanol
PubChem CID19024601
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(2-propylsulfanylimidazol-1-yl)methanol
SMILESCCCSc1nccn1CO
InChIInChI=1S/C7H12N2OS/c1-2-5-11-7-8-3-4-9(7)6-10/h3-4,10H,2,5-6H2,1H3
InChIKeyZLUHSYXHFJBJSF-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propylsulfanylimidazol-1-yl)methanol?
The IUPAC name of (2-propylsulfanylimidazol-1-yl)methanol (CID 19024601) is (2-propylsulfanylimidazol-1-yl)methanol.
What is the SMILES notation for (2-propylsulfanylimidazol-1-yl)methanol?
The canonical SMILES for (2-propylsulfanylimidazol-1-yl)methanol is CCCSc1nccn1CO.
What is the InChIKey of (2-propylsulfanylimidazol-1-yl)methanol?
The InChIKey is ZLUHSYXHFJBJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-5-11-7-8-3-4-9(7)6-10/h3-4,10H,2,5-6H2,1H3.
What are the key properties of (2-propylsulfanylimidazol-1-yl)methanol?
(2-propylsulfanylimidazol-1-yl)methanol has a molecular weight of 172.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylsulfanylimidazol-1-yl)methanol is sourced from PubChem (CID 19024601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).