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3683-50-9 | 4,4-DIMETHYL-1-(3-METHYL-5-ISOTHIAZOLYL)THIOSEMICARBAZIDE
CAS No: 3683-50-9 Catalog No: AG0077WL MDL No:
Product Description
Catalog Number:
AG0077WL
Chemical Name:
4,4-DIMETHYL-1-(3-METHYL-5-ISOTHIAZOLYL)THIOSEMICARBAZIDE
CAS Number:
3683-50-9
Molecular Formula:
C7H12N4S2
Molecular Weight:
216.3270
IUPAC Name:
1,1-dimethyl-3-[(Z)-(3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea
InChI:
InChI=1S/C8H12N4S2/c1-6-4-7(14-11-6)5-9-10-8(13)12(2)3/h4-5H,1-3H3,(H,10,13)/b9-5-
InChI Key:
RTONJODSQLDTJT-UITAMQMPSA-N
SMILES:
S=C(N(C)C)NNc1snc(c1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
228.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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