(2-sulfanylbenzimidazol-2-yl)methanol

C8H8N2OS — CID 19820710

IUPAC(2-sulfanylbenzimidazol-2-yl)methanol
SMILESOCC1(S)N=c2ccccc2=N1
InChIInChI=1S/C8H8N2OS/c11-5-8(12)9-6-3-1-2-4-7(6)10-8/h1-4,11-12H,5H2
InChIKeyFHZFWOANMKOIOU-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.48
Rot. Bonds1

About (2-sulfanylbenzimidazol-2-yl)methanol

(2-sulfanylbenzimidazol-2-yl)methanol (PubChem CID 19820710) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is (2-sulfanylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-sulfanylbenzimidazol-2-yl)methanol
PubChem CID19820710
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name(2-sulfanylbenzimidazol-2-yl)methanol
SMILESOCC1(S)N=c2ccccc2=N1
InChIInChI=1S/C8H8N2OS/c11-5-8(12)9-6-3-1-2-4-7(6)10-8/h1-4,11-12H,5H2
InChIKeyFHZFWOANMKOIOU-UHFFFAOYSA-N
XLogP-0.48
TPSA44.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

copper(1+);2,2-dimethylbenzimidazole;perchlorate
CID 11472353
2-[3,5-bis(2-phenylbenzimidazol-2-yl)phenyl]-2-phenylbenzimidazole
CID 23146814
2-undecylbenzimidazole-2-carboxylic acid
CID 150823870
3-[(2R)-2-aminoindol-2-yl]propan-1-ol
CID 150073251
N-(2-ethylbenzimidazol-2-yl)carbamate
CID 21389831
[aminomethyl(phenyl)silyl]methanol
CID 151703158
benzoic acid;2-chloroethanol
CID 86108582
2-hydroxyindole-2-carboxylic acid
CID 134129253
3-[2-hydroxyethyl(triphenyl)-λ5-phosphanyl]propan-1-ol
CID 88862410
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174

Frequently Asked Questions

What is the IUPAC name of (2-sulfanylbenzimidazol-2-yl)methanol?
The IUPAC name of (2-sulfanylbenzimidazol-2-yl)methanol (CID 19820710) is (2-sulfanylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (2-sulfanylbenzimidazol-2-yl)methanol?
The canonical SMILES for (2-sulfanylbenzimidazol-2-yl)methanol is OCC1(S)N=c2ccccc2=N1.
What is the InChIKey of (2-sulfanylbenzimidazol-2-yl)methanol?
The InChIKey is FHZFWOANMKOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-5-8(12)9-6-3-1-2-4-7(6)10-8/h1-4,11-12H,5H2.
What are the key properties of (2-sulfanylbenzimidazol-2-yl)methanol?
(2-sulfanylbenzimidazol-2-yl)methanol has a molecular weight of 180.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 19820710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).