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885272-59-3 | 1H-Indazole,5-(tetrahydro-2H-thiopyran-4-yl)-
CAS No: 885272-59-3 Catalog No: AG00483W MDL No:MFCD04114686
Product Description
Catalog Number:
AG00483W
Chemical Name:
1H-Indazole,5-(tetrahydro-2H-thiopyran-4-yl)-
CAS Number:
885272-59-3
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD04114686
IUPAC Name:
5-(thian-4-yl)-1H-indazole
InChI:
InChI=1S/C12H14N2S/c1-2-12-11(8-13-14-12)7-10(1)9-3-5-15-6-4-9/h1-2,7-9H,3-6H2,(H,13,14)
InChI Key:
CIASECHUXULVPN-UHFFFAOYSA-N
SMILES:
S1CCC(CC1)c1ccc2c(c1)cn[nH]2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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