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Home > Imidazoles > 29982-03-4
29982-03-4 | 1H-BENZO[D]IMIDAZOLE-2-PROPANETHIOL
CAS No: 29982-03-4 Catalog No: AG007JW1 MDL No:MFCD18807841
Product Description
Catalog Number:
AG007JW1
Chemical Name:
1H-BENZO[D]IMIDAZOLE-2-PROPANETHIOL
CAS Number:
29982-03-4
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD18807841
IUPAC Name:
3-(1H-benzimidazol-2-yl)propane-1-thiol
InChI:
InChI=1S/C10H12N2S/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
InChI Key:
SNNLTRLHBHHUPZ-UHFFFAOYSA-N
SMILES:
SCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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