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191411-45-7 | [2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]methanol
CAS No: 191411-45-7 Catalog No: AG00IN3A MDL No:MFCD02083059
Product Description
Catalog Number:
AG00IN3A
Chemical Name:
[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]methanol
CAS Number:
191411-45-7
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD02083059
IUPAC Name:
(2-ethylsulfanyl-3-methylimidazol-4-yl)methanol
InChI:
InChI=1S/C7H12N2OS/c1-3-11-7-8-4-6(5-10)9(7)2/h4,10H,3,5H2,1-2H3
InChI Key:
VPYMPZGALQAUAI-UHFFFAOYSA-N
SMILES:
CCSc1ncc(n1C)CO
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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