Products for Research Use Only
RegisterLogin

Ac-Cys (Bzl) -OH

CAT: 0931-TYD-04237-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TYD-04237-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
19542-77-9
Target
Drug Metabolite
Related Pathways
Metabolism
Bioactivity
Ac-Cys (Bzl) -OH (N-Acetyl-S-benzyl-L-cysteine) is a metabolite of toluene. The presence of Ac-Cys (Bzl) -OH in urine samples serves as a biomarker for toluene exposure.
Smiles
C(SC[C@H](NC(C)=O)C(O)=O)C1=CC=CC=C1
Molecular Formula
C12H15NO3S
Molecular Weight
253.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzylmercapturic acid

RN given refers to (L)-isomer

CAS Number19542-77-9
PubChem CID107816
IUPAC Name(2R)-2-acetamido-3-benzylsulfanylpropanoic acid
Molecular FormulaC12H15NO3S
Molecular Weight253.32
XLogP1.3
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity264
SMILES
CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O
InChI
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
InChIKey
BJUXDERNWYKSIQ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Benzylmercapturic acid
CAS: 19542-77-9
CID: 107816
Formula: C12H15NO3S
MW: 253.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.32
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass253.07726451
Monoisotopic Mass253.07726451
Topological Polar Surface Area91.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T64440Fmoc-Cys (STmp) -OH
T64327-01Fmoc-Cys (Acm) -OH
T67555-01Fmoc-Cys (Trt) -OH
TP2848-01Ac-DEMEEC-OH
T4839-01Ac-Ala-OH
T204853Ac-EEVC-OH
TP3309-01Ac-pSar16-OH
TP2899-01H-L-Cys (MDNPE) -OH
T89670-01Boc-L-Cys (Propargyl) -OH
TP2519-01[ (Cys (Bzl) 84, Glu (OBzl) 85) ]CD4 (81-92)

Alternative Products

CatalogName
GTR19269024-01Ac-Cys (Bzl) -OH
2061-01Boc-Cys (Bzl)
5-02582H-Cys(Bzl)-OH
5-07225Z-Cys(Bzl)-OMe
4007281.0250H-Cys (Bzl) -AMC
B-1880.0005Fmoc-Cys(Bzl)-OH
A-1305.0005Boc-Cys(Bzl)-OSu
468934-01Z-Cys (Bzl) -OH
MBS405226-01Boc-Cys(Bzl)-OH
5-07224Z-Cys(Bzl)-ONp

Popular Products