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100385-43-1 | Ethanedithioamide, N1,N2-bis(3-methylbutyl)-
CAS No: 100385-43-1 Catalog No: AG0001V3 MDL No:
Product Description
Catalog Number:
AG0001V3
Chemical Name:
Ethanedithioamide, N1,N2-bis(3-methylbutyl)-
CAS Number:
100385-43-1
Molecular Formula:
C12H24N2S2
Molecular Weight:
260.4624
IUPAC Name:
N,N'-bis(3-methylbutyl)ethanedithioamide
InChI:
InChI=1S/C12H24N2S2/c1-9(2)5-7-13-11(15)12(16)14-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChI Key:
ABASQCXHZLJQJI-UHFFFAOYSA-N
SMILES:
CC(CCNC(=S)C(=S)NCCC(C)C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.138g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.458g/mol
Monoisotopic Mass:
260.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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