Bucillamine

CAT: 0926-FB19345-02Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FB19345-02Size:0.1 g

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CAS Number

65002-17-7

Synonyms

N- (2-Mercapto-2-methyl-1-oxopropyl) -L-cysteine; N- (2-Mercaptoisobutyryl) cysteine; Rimatil

MDL Number

MFCD00867570

Smiles

CC (C) (C (=O) N[C@@H] (CS) C (=O) O) S

Molecular Formula

C7H13NO3S2

Molecular Weight

223.32 g/mol

Controlled

Chemical Information

Bucillamine

Bucillamine is an organic molecular entity.

CAS Number	65002-17-7
PubChem CID	656604
IUPAC Name	(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
Molecular Formula	C7H13NO3S2
Molecular Weight	223.3
XLogP	0.4
Topological Polar Surface Area	68.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	218

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

CAS: 65002-17-7

CID: 656604

Formula: C7H13NO3S2

MW: 223.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.3
XLogP3	0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	223.03368562
Monoisotopic Mass	223.03368562
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes