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120-86-5 | Ethanedithioamide, N1,N2-bis(2-hydroxyethyl)-
CAS No: 120-86-5 Catalog No: AG000Q1I MDL No:MFCD00020565
Product Description
Catalog Number:
AG000Q1I
Chemical Name:
Ethanedithioamide, N1,N2-bis(2-hydroxyethyl)-
CAS Number:
120-86-5
Molecular Formula:
C6H12N2O2S2
Molecular Weight:
208.3017
MDL Number:
MFCD00020565
IUPAC Name:
N,N'-bis(2-hydroxyethyl)ethanedithioamide
InChI:
InChI=1S/C6H12N2O2S2/c9-3-1-7-5(11)6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)
InChI Key:
POHRRIXAXBVBFW-UHFFFAOYSA-N
SMILES:
OCCNC(=S)C(=S)NCCO
EC Number:
204-431-7
UNII:
F6NI0P7GNP
NSC Number:
44700
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
208.294g/mol
Monoisotopic Mass:
208.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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