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2060030-67-1 | 2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carbothioamide
CAS No: 2060030-67-1 Catalog No: AG01BQRS MDL No:MFCD30501846
Product Description
Catalog Number:
AG01BQRS
Chemical Name:
2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carbothioamide
CAS Number:
2060030-67-1
Molecular Formula:
C8H8N4S2
Molecular Weight:
224.3059
MDL Number:
MFCD30501846
IUPAC Name:
2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbothioamide
InChI:
InChI=1S/C8H8N4S2/c1-12-3-2-5(11-12)8-10-6(4-14-8)7(9)13/h2-4H,1H3,(H2,9,13)
InChI Key:
LCRUBFGWSPQHOB-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)c1scc(n1)C(=S)N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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