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3683-58-7 | 1-(3-METHYL-5-ISOTHIAZOLYL)METHYLENETHIOSEMICARBAZIDE
CAS No: 3683-58-7 Catalog No: AG0077WJ MDL No:
Product Description
Catalog Number:
AG0077WJ
Chemical Name:
1-(3-METHYL-5-ISOTHIAZOLYL)METHYLENETHIOSEMICARBAZIDE
CAS Number:
3683-58-7
Molecular Formula:
C6H8N4S2
Molecular Weight:
200.2845
IUPAC Name:
[(3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea
InChI:
InChI=1S/C6H8N4S2/c1-4-2-5(12-10-4)3-8-9-6(7)11/h2-3H,1H3,(H3,7,9,11)
InChI Key:
VNGARQSDVSSXTK-UHFFFAOYSA-N
SMILES:
Cc1cc(sn1)C=NNC(=S)N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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