Name: Name:1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3,4-tetrazole-5-thiol
Brand: Angene
SKU: AG01AJ2P
Rating: 90 (10 reviews)

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3,4-tetrazole-5-thiol

CAS No.:

460362-91-8

Catalog Number:

AG01AJ2P

Molecular Formula:

C9H8N4O2S

Molecular Weight:

236.2504

Catalog Number:

AG01AJ2P

Chemical Name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3,4-tetrazole-5-thiol

CAS Number:

460362-91-8

Molecular Formula:

C9H8N4O2S

Molecular Weight:

236.2504

MDL Number:

MFCD03114254

IUPAC Name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-tetrazole-5-thione

InChI:

InChI=1S/C9H8N4O2S/c16-9-10-11-12-13(9)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H,10,12,16)

InChI Key:

DILPOVAXGZUMTO-UHFFFAOYSA-N

SMILES:

Sc1nnnn1c1ccc2c(c1)OCCO2

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.249g/mol

Monoisotopic Mass:

236.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5