Name: Name:3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole-5-thiol
Brand: Angene
SKU: AG01AKV8
Rating: 90 (10 reviews)

3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole-5-thiol

CAS No.:

1094562-19-2

Catalog Number:

AG01AKV8

Molecular Formula:

C11H11N3S

Molecular Weight:

217.2901

Catalog Number:

AG01AKV8

Chemical Name:

3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole-5-thiol

CAS Number:

1094562-19-2

Molecular Formula:

C11H11N3S

Molecular Weight:

217.2901

MDL Number:

MFCD20501916

IUPAC Name:

5-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

InChI:

InChI=1S/C11H11N3S/c15-11-12-10(13-14-11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,12,13,14,15)

InChI Key:

HDEQKMOSDLXFGE-UHFFFAOYSA-N

SMILES:

Sc1[nH]nc(n1)c1ccc2c(c1)CCC2

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.29g/mol

Monoisotopic Mass:

217.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3