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149-82-6 | Carbamodithioic acid, N,N-dibutyl-, compd. with N,N-dimethylcyclohexanamine (1:1)
CAS No: 149-82-6 Catalog No: AG001LC2 MDL No:
Product Description
Catalog Number:
AG001LC2
Chemical Name:
Carbamodithioic acid, N,N-dibutyl-, compd. with N,N-dimethylcyclohexanamine (1:1)
CAS Number:
149-82-6
Molecular Formula:
C17H36N2S2
Molecular Weight:
332.6111
IUPAC Name:
cyclohexyl(dimethyl)azanium;N,N-dibutylcarbamodithioate
InChI:
InChI=1S/C9H19NS2.C8H17N/c1-3-5-7-10(9(11)12)8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-8H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3
InChI Key:
APWMBANPMBFWLA-UHFFFAOYSA-N
SMILES:
CN(C1CCCCC1)C.CCCCN(C(=S)S)CCCC
EC Number:
205-747-8
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.232g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.609g/mol
Monoisotopic Mass:
332.232g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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