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2-Mercapto-L-histidine

CAT: 0572-TRC-M253000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M253000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2002-22-4
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
N[C@@H](Cc1c[nH]c(S)n1)C(=O)O
Molecular Formula
C6 H9 N3 O2 S
Molecular Weight
187.22
InChI
InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)/t4-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-amino-3-(2-sulfanyl-1H-imidazol-4-yl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
CAS Number2002-22-4
PubChem CID2733604
IUPAC Name(2S)-2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid
Molecular FormulaC6H9N3O2S
Molecular Weight187.22
XLogP-3.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity251
SMILES
C1=C(NC(=S)N1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)/t4-/m0/s1
InChIKey
FVNKWWBXNSNIAR-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
CAS: 2002-22-4
CID: 2733604
Formula: C6H9N3O2S
MW: 187.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.22
XLogP3-3.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass187.04154771
Monoisotopic Mass187.04154771
Topological Polar Surface Area119 Ų
Heavy Atom Count12
Formal Charge0
Complexity251
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

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