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13037-05-3 | Carbamodithioic acid, N-2-pyridinyl-, ethyl ester
CAS No: 13037-05-3 Catalog No: AG000UBW MDL No:MFCD00059104
Product Description
Catalog Number:
AG000UBW
Chemical Name:
Carbamodithioic acid, N-2-pyridinyl-, ethyl ester
CAS Number:
13037-05-3
Molecular Formula:
C8H10N2S2
Molecular Weight:
198.3084
MDL Number:
MFCD00059104
IUPAC Name:
ethyl N-pyridin-2-ylcarbamodithioate
InChI:
InChI=1S/C8H10N2S2/c1-2-12-8(11)10-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H,9,10,11)
InChI Key:
ZCXHKAIAVJUBPJ-UHFFFAOYSA-N
SMILES:
CCSC(=S)Nc1ccccn1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.302g/mol
Monoisotopic Mass:
198.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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