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7673-84-9 | 1-Propanol, 3-(1H-benzimidazol-2-ylthio)-
CAS No: 7673-84-9 Catalog No: AG005UQX MDL No:
Product Description
Catalog Number:
AG005UQX
Chemical Name:
1-Propanol, 3-(1H-benzimidazol-2-ylthio)-
CAS Number:
7673-84-9
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
IUPAC Name:
3-(1H-benzimidazol-2-ylsulfanyl)propan-1-ol
InChI:
InChI=1S/C10H12N2OS/c13-6-3-7-14-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
InChI Key:
MQTZCJWMQXKLFX-UHFFFAOYSA-N
SMILES:
OCCCSc1nc2c([nH]1)cccc2
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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