3-(Methylthio)propylamine

C4H11NSCAS 4104-45-4105.20 g/mol

Open in Covalent MOL file
SNH2
Primary amineSulfide

Properties

Molecular formula
C4H11NS
Molar mass
105.20 g/mol
Exact mass
105.0612 Da
Boiling point
170 °C
logP
0.70Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 138 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
4104-45-4
SMILES
CSCCCN
InChIKey
KKYSBGWCYXYOHA-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • S-Methylhomocysteamine
  • 1-Propanamine, 3-(methylthio)-
  • Propylamine, 3-(methylthio)-
  • 3-(Methylthio)-1-propanamine
  • 3-(Methylmercapto)propylamine
  • 3-Aminopropyl methyl sulfide
  • 1-Amino-3-(methylthio)propane
  • 3-(Methylthio)-1-propylamine
  • 3-Methylsulfanyl-1-propylamine
  • 3-(Methylsulfanyl)propylamine
  • 3-Methylsulfanylpropan-1-amine

Work with 3-(Methylthio)propylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylthioethylamine18542-42-267 % similar Butyl methyl sulfide628-29-548 % similar Methionol505-10-245 % similar 1-(Methylthio)dodecane3698-89-343 % similar 1,3-Diaminopropane dihydrochloride10517-44-942 % similar Putrescine dihydrochloride333-93-742 % similar 1,3-Diaminopropane109-76-241 % similar Putrescine110-60-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Ethylthio)ethylamine36489-03-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook