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141-33-3

141-33-3 | Carbonodithioic acid, O-butyl ester, sodium salt (1:1)

CAS No: 141-33-3 Catalog No: AG001FPI MDL No:

Product Description

Catalog Number:
AG001FPI
Chemical Name:
Carbonodithioic acid, O-butyl ester, sodium salt (1:1)
CAS Number:
141-33-3
Molecular Formula:
C5H9NaOS2
Molecular Weight:
172.2441
IUPAC Name:
sodium;butoxymethanedithioate
InChI:
InChI=1S/C5H10OS2.Na/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1
InChI Key:
AAJRIJBGDLLRAE-UHFFFAOYSA-M
SMILES:
[S-]C(=S)OCCCC.[Na+]
EC Number:
205-481-2

Properties

Complexity:
77.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.999g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.236g/mol
Monoisotopic Mass:
171.999g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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