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119251-62-6 | Gold, [bis(2-hydroxyethyl)carbamodithioato-S,S']dichloro-, (SP-4-2)- (9CI)
CAS No: 119251-62-6 Catalog No: AG000IFX MDL No:
Product Description
Catalog Number:
AG000IFX
Chemical Name:
Gold, [bis(2-hydroxyethyl)carbamodithioato-S,S']dichloro-, (SP-4-2)- (9CI)
CAS Number:
119251-62-6
Molecular Formula:
C5H10AuCl2NO2S2
Molecular Weight:
448.1410
IUPAC Name:
N,N-bis(2-hydroxyethyl)carbamodithioate;gold(3+);dichloride
InChI:
InChI=1S/C5H11NO2S2.Au.2ClH/c7-3-1-6(2-4-8)5(9)10;;;/h7-8H,1-4H2,(H,9,10);;2*1H/q;+3;;/p-3
InChI Key:
MTUTVRYHGMUPNK-UHFFFAOYSA-K
SMILES:
OCCN(C(=S)[S-])CCO.[Cl-].[Cl-].[Au+3]
Properties
Complexity:
98.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.92g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.127g/mol
Monoisotopic Mass:
446.92g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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