Name: Name:2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid
Brand: Angene
SKU: AG019WIS
Rating: 90 (10 reviews)

2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

CAS No.:

953895-49-3

Catalog Number:

AG019WIS

Molecular Formula:

C7H10N4O2S

Molecular Weight:

214.2449

Catalog Number:

AG019WIS

Chemical Name:

2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

CAS Number:

953895-49-3

Molecular Formula:

C7H10N4O2S

Molecular Weight:

214.2449

MDL Number:

MFCD09735931

IUPAC Name:

2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoic acid

InChI:

InChI=1S/C7H10N4O2S/c1-4(6(12)13)14-7-8-9-10-11(7)5-2-3-5/h4-5H,2-3H2,1H3,(H,12,13)

InChI Key:

SCVXJJPMAKQBAY-UHFFFAOYSA-N

SMILES:

OC(=O)C(Sc1nnnn1C1CC1)C

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.243g/mol

Monoisotopic Mass:

214.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9