chempirical

Carbocisteine

C5H9NO4SCAS 638-23-3179.19 g/mol

Open in Covalent MOL file
NH2SOOHOHO
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C5H9NO4S
Molar mass
179.19 g/mol
Exact mass
179.0252 Da
Melting point
206 °C
logP
-0.78Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)

Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
638-23-3
SMILES
N[C@@H](CSCC(=O)O)C(=O)O
InChIKey
GBFLZEXEOZUWRN-VKHMYHEASA-N
InChI
InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

44 names · show all
  • Alanine, 3-[(carboxymethyl)thio]-, L-
  • L-Cysteine, S-(carboxymethyl)-
  • S-(Carboxymethyl)-L-cysteine
  • 3-[(Carboxymethyl)thio]-L-alanine
  • Thiodril
  • Rhinathiol
  • Mucodyne
  • Carbocysteine
  • L-(Carboxymethyl)cysteine
  • (L)-2-Amino-3-(carboxymethylthio)propionic acid
  • Rinatiol
  • LJ 206
  • (R)-S-(Carboxymethyl)cysteine
  • S-(Carboxymethyl)-(R)-cysteine
  • S-Carboxylmethyl-L-cysteine
  • Mucopront
  • Muciclar
  • Bronchokod
  • Rhinatiol
  • DF 1794Y
  • Mucofan
  • Reomucil
  • Lisil
  • Pectox
  • Mucolase
  • Pulmoclase
  • Carbocit
  • Loviscol
  • Mukinyl
  • Transbronchin
  • Mucocis
  • Mucotab
  • Lisomucil
  • Siroxyl
  • AHR 3053
  • Mucolex
  • NSC 14156
  • Chilvax
  • (2R)-2-Amino-3-[(carboxymethyl)thio]propionic acid
  • Mucosol
  • PectDrill
  • Carboxymethyl-cysteine
  • (2R)-2-Amino-3-[(carboxymethyl)sulfanyl]propanoic acid
  • (2R)-2-Amino-3-(carboxymethylsulfanyl)propanoic acid

Work with Carbocisteine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

S-(Carboxymethyl)cysteine2387-59-9Stereo not defined S-Carboxymethyl-L-cysteine186537-58-6

Similar compounds

DL-Lanthionine3183-08-271 % similar Djenkolic acid498-59-967 % similar Fudosteine13189-98-560 % similar D-Cystine349-46-260 % similar Cystine56-89-360 % similar 2-Azaniumyl-3-((2-azaniumyl-2-carboxylatoethyl)disulfanyl)propanoate923-32-060 % similar S-2-Hydroxyethyl-L-cysteine6367-98-259 % similar D-Aspartic acid1783-96-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia