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68282-63-3 | Hydrazinecarbodithioic acid, (1H-imidazol-4-ylmethylene)-, methyl ester
CAS No: 68282-63-3 Catalog No: AG005XEF MDL No:
Product Description
Catalog Number:
AG005XEF
Chemical Name:
Hydrazinecarbodithioic acid, (1H-imidazol-4-ylmethylene)-, methyl ester
CAS Number:
68282-63-3
Molecular Formula:
C6H8N4S2
Molecular Weight:
200.2845
IUPAC Name:
methyl N-(1H-imidazol-5-ylmethylideneamino)carbamodithioate
InChI:
InChI=1S/C6H8N4S2/c1-12-6(11)10-9-3-5-2-7-4-8-5/h2-4H,1H3,(H,7,8)(H,10,11)
InChI Key:
JXRHUEVWIUBPQV-UHFFFAOYSA-N
SMILES:
CSC(=S)NN=Cc1c[nH]cn1
Properties
Complexity:
182
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:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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