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Home > Imidazoles > 99069-37-1
99069-37-1 | 2-((Ethylthio)methyl)-1H-benzo[d]imidazole
CAS No: 99069-37-1 Catalog No: AG005T8C MDL No:MFCD00159959
Product Description
Catalog Number:
AG005T8C
Chemical Name:
2-((Ethylthio)methyl)-1H-benzo[d]imidazole
CAS Number:
99069-37-1
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD00159959
IUPAC Name:
2-(ethylsulfanylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C10H12N2S/c1-2-13-7-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
CHHFCKAWSWMMIW-UHFFFAOYSA-N
SMILES:
CCSCc1nc2c([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:
1
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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