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88096-75-7 | Hydrazinecarboximidothioic acid, (1-phenylbutylidene)-, methyl ester
CAS No: 88096-75-7 Catalog No: AG004J2A MDL No:
Product Description
Catalog Number:
AG004J2A
Chemical Name:
Hydrazinecarboximidothioic acid, (1-phenylbutylidene)-, methyl ester
CAS Number:
88096-75-7
Molecular Formula:
C12H17N3S
Molecular Weight:
235.3485
IUPAC Name:
methyl N'-(1-phenylbutylideneamino)carbamimidothioate
InChI:
InChI=1S/C12H17N3S/c1-3-7-11(14-15-12(13)16-2)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H2,13,15)
InChI Key:
CJJPSEYJKHSKCF-UHFFFAOYSA-N
SMILES:
CCCC(=NNC(=N)SC)c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.349g/mol
Monoisotopic Mass:
235.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
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