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D,L-Buthionine

CAT: 0572-TRC-B690230-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B690230-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4378-14-7
Hazard Statement
No Data Available
Smiles
CCCCSCCC(N)C(=O)O
Molecular Formula
C8 H17 N O2 S
Molecular Weight
191.29
InChI
InChI=1S/C8H17NO2S/c1-2-3-5-12-6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
Additionnal Information
IUPAC name: 2-amino-4-butylsulfanylbutanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Buthionine

RN given refers to cpd without isomeric designation

CAS Number4378-14-7
PubChem CID2724716
IUPAC Name2-amino-4-butylsulfanylbutanoic acid
Molecular FormulaC8H17NO2S
Molecular Weight191.29
XLogP-0.6
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
CCCCSCCC(C(=O)O)N
InChI
InChI=1S/C8H17NO2S/c1-2-3-5-12-6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
InChIKey
LAXXPOJCFVMVAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buthionine
CAS: 4378-14-7
CID: 2724716
Formula: C8H17NO2S
MW: 191.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.29
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass191.09799996
Monoisotopic Mass191.09799996
Topological Polar Surface Area88.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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