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24898-58-6 | S-methyl-N-(1-isolquinolyl)methylendithiocarbazate
CAS No: 24898-58-6 Catalog No: AG00CCZR MDL No:
Product Description
Catalog Number:
AG00CCZR
Chemical Name:
S-methyl-N-(1-isolquinolyl)methylendithiocarbazate
CAS Number:
24898-58-6
IUPAC Name:
methyl N-[(E)-isoquinolin-1-ylmethylideneamino]carbamodithioate
InChI:
InChI=1S/C12H11N3S2/c1-17-12(16)15-14-8-11-10-5-3-2-4-9(10)6-7-13-11/h2-8H,1H3,(H,15,16)/b14-8+
InChI Key:
LNZQMYBCXYTKMH-RIYZIHGNSA-N
NSC Number:
614795
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
261.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.361g/mol
Monoisotopic Mass:
261.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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