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29231-69-4 | 4-Isothiazolecarbonitrile, 5-azido-3-(methylthio)-
CAS No: 29231-69-4 Catalog No: AG002XSY MDL No:
Product Description
Catalog Number:
AG002XSY
Chemical Name:
4-Isothiazolecarbonitrile, 5-azido-3-(methylthio)-
CAS Number:
29231-69-4
Molecular Formula:
C5H3N5S2
Molecular Weight:
197.2408
IUPAC Name:
5-azido-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H3N5S2/c1-11-5-3(2-6)4(8-10-7)12-9-5/h1H3
InChI Key:
NUUYRODTCFAQDT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1snc(c1C#N)SC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
196.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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