Vitamin U

C6H14ClNO2SCAS 1115-84-0199.69 g/mol

Open in Covalent MOL file
S+NH2OO−HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H14ClNO2S
Molar mass
199.69 g/mol
Exact mass
199.0434 Da
Melting point
134 °C (decomposes)
logP
-1.25Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1115-84-0
SMILES
C[S+](C)CC[C@H](N)C(=O)[O-].Cl
InChIKey
MYGVPKMVGSXPCQ-JEDNCBNOSA-N
InChI
InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

19 names · show all
  • Sulfonium, [(3S)-3-amino-3-carboxypropyl]dimethyl-, chloride (1:1)
  • Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, L-
  • Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, (S)-
  • Sulfonium, [(3S)-3-amino-3-carboxypropyl]dimethyl-, chloride
  • Methylmethioninesulfonium chloride
  • L-Methylmethionine sulfonium chloride
  • Cabagin
  • S-Methylmethionine sulfonium chloride
  • L-Methionine methylsulfonium chloride
  • S-Methylmethionine chloride
  • Ardesyl
  • Yucron
  • Epadyn U
  • Merastom
  • U-Vit
  • Cabagin U
  • Methionine-S-methyl sulfonium chloride
  • MMSC
  • Vitas U

Work with Vitamin U

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.

DL-Methionine methylsulfonium chloride3493-12-7Stereo not defined

Similar compounds

Zinc methionine sulfate56329-42-139 % similar Calcium L-aspartate21059-46-138 % similar Stachydrine chloride4136-37-236 % similar L-2,4-Diaminobutyric acid dihydrochloride1883-09-635 % similar 2,4-Diaminobutyric acid dihydrochloride65427-54-535 % similar L-Aspartic acid sodium salt monohydrate323194-76-934 % similar Methyl L-ornithine dihydrochloride40216-82-834 % similar (R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methionine methyl ester hydrochloride2491-18-1 H-D-Met-ome hcl69630-60-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook