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124187-74-2 | Thiopyrano[3,2-c]pyrazol-3(5H)-one, 1,2,6,7-tetrahydro-
CAS No: 124187-74-2 Catalog No: AG000LMY MDL No:
Product Description
Catalog Number:
AG000LMY
Chemical Name:
Thiopyrano[3,2-c]pyrazol-3(5H)-one, 1,2,6,7-tetrahydro-
CAS Number:
124187-74-2
Molecular Formula:
C6H8N2OS
Molecular Weight:
156.2055
IUPAC Name:
2,5,6,7-tetrahydro-1H-thiopyrano[3,2-c]pyrazol-3-one
InChI:
InChI=1S/C6H8N2OS/c9-6-5-4(7-8-6)2-1-3-10-5/h1-3H2,(H2,7,8,9)
InChI Key:
SNBWDVNDGVABAL-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c2c1SCCC2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.203g/mol
Monoisotopic Mass:
156.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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