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5982-37-6 | 2-Benzimidazolemethanethiol,alpha-ethyl-(7CI,8CI)
CAS No: 5982-37-6 Catalog No: AG00EO77 MDL No:
Product Description
Catalog Number:
AG00EO77
Chemical Name:
2-Benzimidazolemethanethiol,alpha-ethyl-(7CI,8CI)
CAS Number:
5982-37-6
IUPAC Name:
1-(1H-benzimidazol-2-yl)propane-1-thiol
InChI:
InChI=1S/C10H12N2S/c1-2-9(13)10-11-7-5-3-4-6-8(7)12-10/h3-6,9,13H,2H2,1H3,(H,11,12)
InChI Key:
XWVCMNDJGMGOGT-UHFFFAOYSA-N
Properties
Complexity:
174
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:
2
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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