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73688-72-9

73688-72-9 | 1H-Benzimidazole-2-methanethiol, 5,6-dimethyl-

CAS No: 73688-72-9 Catalog No: AG005XYJ MDL No:

Product Description

Catalog Number:
AG005XYJ
Chemical Name:
1H-Benzimidazole-2-methanethiol, 5,6-dimethyl-
CAS Number:
73688-72-9
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
IUPAC Name:
(5,6-dimethyl-1H-benzimidazol-2-yl)methanethiol
InChI:
InChI=1S/C10H12N2S/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
InChI Key:
PXPXXPJORACKKN-UHFFFAOYSA-N
SMILES:
SCc1[nH]c2c(n1)cc(c(c2)C)C
UNII:
KO21ZV454I
NSC Number:
97104

Properties

Complexity:
186  
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:
1  
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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