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29231-68-3 | 5-hydrazino-3-(methylthio)isothiazole-4-carbonitrile
CAS No: 29231-68-3 Catalog No: AG00JE88 MDL No:MFCD01597247
Product Description
Catalog Number:
AG00JE88
Chemical Name:
5-hydrazino-3-(methylthio)isothiazole-4-carbonitrile
CAS Number:
29231-68-3
Molecular Formula:
C5H6N4S2
Molecular Weight:
186.2579
MDL Number:
MFCD01597247
IUPAC Name:
5-hydrazinyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H6N4S2/c1-10-5-3(2-6)4(8-7)11-9-5/h8H,7H2,1H3
InChI Key:
VQDNWMDSJXFFHF-UHFFFAOYSA-N
SMILES:
N#Cc1c(NN)snc1SC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.003g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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