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75074-70-3 | Carbamodithioic acid,N,N-bis(2-hydroxyethyl)-, ammonium salt (1:1)
CAS No: 75074-70-3 Catalog No: AG005ED5 MDL No:
Product Description
Catalog Number:
AG005ED5
Chemical Name:
Carbamodithioic acid,N,N-bis(2-hydroxyethyl)-, ammonium salt (1:1)
CAS Number:
75074-70-3
Molecular Formula:
C5H14N2O2S2
Molecular Weight:
198.3069
IUPAC Name:
azanium;N,N-bis(2-hydroxyethyl)carbamodithioate
InChI:
InChI=1S/C5H11NO2S2.H3N/c7-3-1-6(2-4-8)5(9)10;/h7-8H,1-4H2,(H,9,10);1H3
InChI Key:
AEALMZFAWWJXJP-UHFFFAOYSA-N
SMILES:
OCCN(C(=S)[S-])CCO.[NH4+]
EC Number:
278-067-2
Properties
Complexity:
98.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.299g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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