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338778-08-8 | 3-[(cyanomethyl)sulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile
CAS No: 338778-08-8 Catalog No: AG00IQ05 MDL No:MFCD00215371
Product Description
Catalog Number:
AG00IQ05
Chemical Name:
3-[(cyanomethyl)sulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile
CAS Number:
338778-08-8
Molecular Formula:
C7H5N3S2
Molecular Weight:
195.2647
MDL Number:
MFCD00215371
IUPAC Name:
3-(cyanomethylsulfanyl)-5-methyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H5N3S2/c1-5-6(4-9)7(10-12-5)11-3-2-8/h3H2,1H3
InChI Key:
FXYZDVSVYWDQDS-UHFFFAOYSA-N
SMILES:
N#CCSc1nsc(c1C#N)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.258g/mol
Monoisotopic Mass:
194.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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