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Home > Indoles and Oxindole > 885273-39-2
885273-39-2 | 1H-Indole,5-(tetrahydro-2H-thiopyran-4-yl)-
CAS No: 885273-39-2 Catalog No: AG00472I MDL No:MFCD04114744
Product Description
Catalog Number:
AG00472I
Chemical Name:
1H-Indole,5-(tetrahydro-2H-thiopyran-4-yl)-
CAS Number:
885273-39-2
Molecular Formula:
C13H15NS
Molecular Weight:
217.3299
MDL Number:
MFCD04114744
IUPAC Name:
5-(thian-4-yl)-1H-indole
InChI:
InChI=1S/C13H15NS/c1-2-13-12(3-6-14-13)9-11(1)10-4-7-15-8-5-10/h1-3,6,9-10,14H,4-5,7-8H2
InChI Key:
KXRMDCMGCHDURS-UHFFFAOYSA-N
SMILES:
S1CCC(CC1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.33g/mol
Monoisotopic Mass:
217.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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