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139504-41-9 | Carbamodithioic acid, dioctadecyl- (9CI)
CAS No: 139504-41-9 Catalog No: AG001B53 MDL No:
Product Description
Catalog Number:
AG001B53
Chemical Name:
Carbamodithioic acid, dioctadecyl- (9CI)
CAS Number:
139504-41-9
Molecular Formula:
C37H75NS2
Molecular Weight:
598.1281
IUPAC Name:
dioctadecylcarbamodithioic acid
InChI:
InChI=1S/C37H75NS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(37(39)40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,40)
InChI Key:
VXZVULMCJMCXLK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(C(=S)S)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
597.534g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
598.134g/mol
Monoisotopic Mass:
597.534g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.6
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