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13889-99-1 | Carbonodithioic acid, S,S-bis(2-aminoethyl) ester, dihydrochloride (9CI)
CAS No: 13889-99-1 Catalog No: AG0019S7 MDL No:
Product Description
Catalog Number:
AG0019S7
Chemical Name:
Carbonodithioic acid, S,S-bis(2-aminoethyl) ester, dihydrochloride (9CI)
CAS Number:
13889-99-1
Molecular Formula:
C5H14Cl2N2OS2
Molecular Weight:
253.2135
IUPAC Name:
bis(2-aminoethylsulfanyl)methanone
InChI:
InChI=1S/C5H12N2OS2/c6-1-3-9-5(8)10-4-2-7/h1-4,6-7H2
InChI Key:
XQMKAHQHYXGXGX-UHFFFAOYSA-N
SMILES:
NCCSC(=O)SCCN.Cl.Cl
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.284g/mol
Monoisotopic Mass:
180.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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