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Home > Imidazoles > 159081-74-0
159081-74-0 | 2-(1H-imidazol-1-yl)ethanethioamide hydrochloride
CAS No: 159081-74-0 Catalog No: AG01B6N7 MDL No:MFCD30342883
Product Description
Catalog Number:
AG01B6N7
Chemical Name:
2-(1H-imidazol-1-yl)ethanethioamide hydrochloride
CAS Number:
159081-74-0
Molecular Formula:
C5H8ClN3S
Molecular Weight:
177.6551
MDL Number:
MFCD30342883
IUPAC Name:
2-imidazol-1-ylethanethioamide;hydrochloride
InChI:
InChI=1S/C5H7N3S.ClH/c6-5(9)3-8-2-1-7-4-8;/h1-2,4H,3H2,(H2,6,9);1H
InChI Key:
NENMISLBUVNRID-UHFFFAOYSA-N
SMILES:
NC(=S)Cn1cncc1.Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.65g/mol
Monoisotopic Mass:
177.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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