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L-Buthionine Sulfoxide

CAT: 0572-TRC-B690240-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B690240-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
199982-01-9
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCCCS(=O)CC[C@H](N)C(=O)O
Molecular Formula
C8 H17 N O3 S
Molecular Weight
207.29
InChI
InChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-,13?/m0/s1
Additionnal Information
IUPAC name: (2S)-2-amino-4-butylsulfinylbutanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

L-Buthionine Sulfoxide
CAS Number199982-01-9
PubChem CID10262438
IUPAC Name(2S)-2-amino-4-butylsulfinylbutanoic acid
Molecular FormulaC8H17NO3S
Molecular Weight207.29
XLogP-2.7
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CCCCS(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-,13?/m0/s1
InChIKey
KOGSTWSVCBVYHO-OGUFLRPBSA-N
Chemical Structure
2D Structure
2D structure of L-Buthionine Sulfoxide
CAS: 199982-01-9
CID: 10262438
Formula: C8H17NO3S
MW: 207.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.29
XLogP3-2.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass207.09291458
Monoisotopic Mass207.09291458
Topological Polar Surface Area99.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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