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3063-20-5 | Carbamodithioic acid, N-ethyl-, compd. with ethanamine (1:1)
CAS No: 3063-20-5 Catalog No: AG0030QJ MDL No:
Product Description
Catalog Number:
AG0030QJ
Chemical Name:
Carbamodithioic acid, N-ethyl-, compd. with ethanamine (1:1)
CAS Number:
3063-20-5
Molecular Formula:
C5H14N2S2
Molecular Weight:
166.3081
IUPAC Name:
ethanamine;ethylcarbamodithioic acid
InChI:
InChI=1S/C3H7NS2.C2H7N/c1-2-4-3(5)6;1-2-3/h2H2,1H3,(H2,4,5,6);2-3H2,1H3
InChI Key:
XSBNNDUUIRIBKE-UHFFFAOYSA-N
SMILES:
CCNC(=S)S.CCN
EC Number:
221-308-3
NSC Number:
87902
Properties
Complexity:
55.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.06g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.301g/mol
Monoisotopic Mass:
166.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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