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Bucillamine

CAT: 1596-AR-B02144-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B02144-03Size:50 Units
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CAS Number
65002-17-7
Synonyms
Bucillamine; Tiobutarit; Rimatil; N- (2-Mercapto-2-methylpropionyl) -L-cysteine; Thiobutarit; UNII-R80LRA5WTF; (R) -3-mercapto-2- (2-mercapto-2-methylpropanamido) propanoic acid; De-019; N- (2-Mercapto-2-methylpropanoyl) -L-cysteine; R80LRA5WTF; N- (2-Mercapto-2-methyl-1-oxopropyl) -L-cysteine; CHEMBL80830; L-CYSTEINE, N- (2-MERCAPTO-2-METHYL-1-OXOPROPYL) -; Bucilamina [Spanish]; Bucillaminum [Latin]; Bucillamine [INN:JAN]; DSSTox_CID_28513; DSSTox_RID_82785; DSSTox_GSID_48587
Molecular Formula
C7H13NO3S2
Molecular Weight
223.31
API Name
Bucillamine

Chemical Information

Bucillamine

Bucillamine is an organic molecular entity.

CAS Number65002-17-7
PubChem CID656604
IUPAC Name(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
Molecular FormulaC7H13NO3S2
Molecular Weight223.3
XLogP0.4
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity218
SMILES
CC(C)(C(=O)N[C@@H](CS)C(=O)O)S
InChI
InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKey
VUAFHZCUKUDDBC-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of Bucillamine
CAS: 65002-17-7
CID: 656604
Formula: C7H13NO3S2
MW: 223.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.3
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass223.03368562
Monoisotopic Mass223.03368562
Topological Polar Surface Area68.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity218
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

Alternative Products

CatalogName
HY-118530-01Bucillamine
HY-118530R-01Bucillamine (Standard)
162960Bucillamine-d6

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