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158387-02-1 | 3-(dimethyl-1,3-thiazol-5-yl)-3-oxopropanenitrile
CAS No: 158387-02-1 Catalog No: AG01CA6N MDL No:MFCD27986479
Product Description
Catalog Number:
AG01CA6N
Chemical Name:
3-(dimethyl-1,3-thiazol-5-yl)-3-oxopropanenitrile
CAS Number:
158387-02-1
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD27986479
IUPAC Name:
3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H8N2OS/c1-5-8(7(11)3-4-9)12-6(2)10-5/h3H2,1-2H3
InChI Key:
GPIJLGHVQLPQIZ-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1C(=O)CC#N)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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