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536-33-4 | 4-Pyridinecarbothioamide, 2-ethyl-
CAS No: 536-33-4 Catalog No: AG00I9K8 MDL No:MFCD00057361
Product Description
Catalog Number:
AG00I9K8
Chemical Name:
4-Pyridinecarbothioamide, 2-ethyl-
CAS Number:
536-33-4
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
MDL Number:
MFCD00057361
IUPAC Name:
2-ethylpyridine-4-carbothioamide
InChI:
InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChI Key:
AEOCXXJPGCBFJA-UHFFFAOYSA-N
SMILES:
CCc1nccc(c1)C(=S)N
EC Number:
208-628-9
UNII:
OAY8ORS3CQ
RTECS Number:
NS0350000
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.242g/mol
Monoisotopic Mass:
166.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
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