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10225-01-1

10225-01-1 | Carbamodithioic acid, dimethyl-, 1,4-butanediyl ester (9CI)

CAS No: 10225-01-1 Catalog No: AG000715 MDL No:

Product Description

Catalog Number:
AG000715
Chemical Name:
Carbamodithioic acid, dimethyl-, 1,4-butanediyl ester (9CI)
CAS Number:
10225-01-1
Molecular Formula:
C10H20N2S4
Molecular Weight:
296.5392
IUPAC Name:
4-(dimethylcarbamothioylsulfanyl)butyl N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C10H20N2S4/c1-11(2)9(13)15-7-5-6-8-16-10(14)12(3)4/h5-8H2,1-4H3
InChI Key:
NLILEBBDWYPPKA-UHFFFAOYSA-N
SMILES:
CN(C(=S)SCCCCSC(=S)N(C)C)C
EC Number:
233-541-8

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.524g/mol
Monoisotopic Mass:
296.051g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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