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Home > Indoles and Oxindole > 565209-29-2
565209-29-2 | 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
CAS No: 565209-29-2 Catalog No: AG019HF7 MDL No:MFCD04611996
Product Description
Catalog Number:
AG019HF7
Chemical Name:
5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
565209-29-2
Molecular Formula:
C15H16N4OS
Molecular Weight:
300.3787
MDL Number:
MFCD04611996
IUPAC Name:
3-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H16N4OS/c21-15-18-17-14(19(15)9-10-4-3-7-20-10)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,16H,3-4,7,9H2,(H,18,21)
InChI Key:
NBSKZRXAOBUAFJ-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1CC1CCCO1)c1c[nH]c2c1cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.38g/mol
Monoisotopic Mass:
300.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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