U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15NO3S
Molecular Weight 253.317
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLMERCAPTURIC ACID

SMILES

CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(O)=O

InChI

InChIKey=BJUXDERNWYKSIQ-NSHDSACASA-N
InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15NO3S
Molecular Weight 253.317
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
X3H719RFPT
Record Status Validated (UNII)
Record Version