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1209735-50-1 | 2-(2-ethyl-1,3-thiazol-4-yl)ethanethioamide
CAS No: 1209735-50-1 Catalog No: AG019R3D MDL No:MFCD13196330
Product Description
Catalog Number:
AG019R3D
Chemical Name:
2-(2-ethyl-1,3-thiazol-4-yl)ethanethioamide
CAS Number:
1209735-50-1
Molecular Formula:
C7H10N2S2
Molecular Weight:
186.2977
MDL Number:
MFCD13196330
IUPAC Name:
2-(2-ethyl-1,3-thiazol-4-yl)ethanethioamide
InChI:
InChI=1S/C7H10N2S2/c1-2-7-9-5(4-11-7)3-6(8)10/h4H,2-3H2,1H3,(H2,8,10)
InChI Key:
UGOORFNAOQLLOS-UHFFFAOYSA-N
SMILES:
CCc1nc(cs1)CC(=S)N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.291g/mol
Monoisotopic Mass:
186.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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