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101955-68-4 | Carbamodithioic acid, N-dodecyl-
CAS No: 101955-68-4 Catalog No: AG00062H MDL No:
Product Description
Catalog Number:
AG00062H
Chemical Name:
Carbamodithioic acid, N-dodecyl-
CAS Number:
101955-68-4
Molecular Formula:
C13H27NS2
Molecular Weight:
261.4902
IUPAC Name:
dodecylcarbamodithioic acid
InChI:
InChI=1S/C13H27NS2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16/h2-12H2,1H3,(H2,14,15,16)
InChI Key:
IDANMTLVCVALJN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=S)S
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.486g/mol
Monoisotopic Mass:
261.158g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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