Name: Name:2-[(4-tert-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG01AAX2
Rating: 90 (10 reviews)

2-[(4-tert-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

CAS No.:

200815-93-6

Catalog Number:

AG01AAX2

Molecular Formula:

C8H13N3O2S

Molecular Weight:

215.2727

Catalog Number:

AG01AAX2

Chemical Name:

2-[(4-tert-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

CAS Number:

200815-93-6

Molecular Formula:

C8H13N3O2S

Molecular Weight:

215.2727

MDL Number:

MFCD11201405

IUPAC Name:

2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C8H13N3O2S/c1-8(2,3)11-5-9-10-7(11)14-4-6(12)13/h5H,4H2,1-3H3,(H,12,13)

InChI Key:

CZNXWUJWDDFHEW-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nncn1C(C)(C)C

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.271g/mol

Monoisotopic Mass:

215.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8