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25742-12-5 | Thiazole-5-carbonitrile
CAS No: 25742-12-5 Catalog No: AG007M7S MDL No:MFCD06797206
Product Description
Catalog Number:
AG007M7S
Chemical Name:
Thiazole-5-carbonitrile
CAS Number:
25742-12-5
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
MDL Number:
MFCD06797206
IUPAC Name:
1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C4H2N2S/c5-1-4-2-6-3-7-4/h2-3H
InChI Key:
XWXPRCDFFCVMNT-UHFFFAOYSA-N
SMILES:
c1ncsc1C#N
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.994g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.134g/mol
Monoisotopic Mass:
109.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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