Name: Name:2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethan-1-one
Brand: Angene
SKU: AG01AAET
Rating: 90 (10 reviews)

2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethan-1-one

CAS No.:

801235-12-1

Catalog Number:

AG01AAET

Molecular Formula:

C13H11N5OS

Molecular Weight:

285.3243

Catalog Number:

AG01AAET

Chemical Name:

2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethan-1-one

CAS Number:

801235-12-1

Molecular Formula:

C13H11N5OS

Molecular Weight:

285.3243

MDL Number:

MFCD06388969

IUPAC Name:

2-(1-phenyltetrazol-5-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone

InChI:

InChI=1S/C13H11N5OS/c19-12(11-7-4-8-14-11)9-20-13-15-16-17-18(13)10-5-2-1-3-6-10/h1-8,14H,9H2

InChI Key:

XJQVUJGXABFCJK-UHFFFAOYSA-N

SMILES:

O=C(c1ccc[nH]1)CSc1nnnn1c1ccccc1

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.325g/mol

Monoisotopic Mass:

285.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6