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20232-78-4 | Carbamodithioic acid, N-2-pyridinyl-, compd. with N,N-diethylethanamine (1:1)
CAS No: 20232-78-4 Catalog No: AG002860 MDL No:
Product Description
Catalog Number:
AG002860
Chemical Name:
Carbamodithioic acid, N-2-pyridinyl-, compd. with N,N-diethylethanamine (1:1)
CAS Number:
20232-78-4
Molecular Formula:
C12H21N3S2
Molecular Weight:
271.4452
IUPAC Name:
N,N-diethylethanamine;pyridin-2-ylcarbamodithioic acid
InChI:
InChI=1S/C6H6N2S2.C6H15N/c9-6(10)8-5-3-1-2-4-7-5;1-4-7(5-2)6-3/h1-4H,(H2,7,8,9,10);4-6H2,1-3H3
InChI Key:
ZERJVEQLQZTTQS-UHFFFAOYSA-N
SMILES:
SC(=S)Nc1ccccn1.CCN(CC)CC
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.441g/mol
Monoisotopic Mass:
271.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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