3-(Methylthio)propylamine - CAS 4104-45-4

Catalog:	BB024762
Product Name:	3-(Methylthio)propylamine
CAS:	4104-45-4
Synonyms:	3-methylsulfanylpropan-1-amine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	3-methylsulfanylpropan-1-amine
Description:	3-(Methylthio)propylamine (CAS# 4104-45-4) is a useful research chemical.
Molecular Weight:	105.20
Molecular Formula:	C4H11NS
Canonical SMILES:	CSCCCN
InChI:	InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
InChI Key:	KKYSBGWCYXYOHA-UHFFFAOYSA-N
Boiling Point:	169 °C (lit.)
Density:	0.938 g/mL at 25°C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00041898
LogP:	1.39850

Publication Number	Title	Priority Date
CN-112679399-A	Methionine crystallization mother liquor post-treatment method and separation equipment	20201222
WO-2021163421-A1	Recombinant bacteria engineered to treat diseases associated with methionine metabolism and methods of use thereof	20200212
CN-110098334-A	A kind of cathodic modification layer material and preparation method thereof and solar battery and preparation method thereof	20190513
CN-111518509-A	Solvent-free reactive adhesive composition and method for producing tire using same	20190201
EP-3689636-A1	Reactive solvent-free adhesive composition and method of manufacturing tire using same	20190201

PMID	Publication Date	Title	Journal
20407699	20100507	Bifunctional polyacrylamide based polymers for the specific binding of hexahistidine tagged proteins on gold surfaces	Physical chemistry chemical physics : PCCP
17705597	20070814	Photodissociation of S atom containing amino acid chromophores	The Journal of chemical physics
16506826	20060308	Formation of amines and aldehydes from parent amino acids during thermal processing of cocoa and model systems: new insights into pathways of the strecker reaction	Journal of agricultural and food chemistry
16833344	20051117	Time-resolved chemically induced dynamic nuclear polarization studies of structure and reactivity of methionine radical cations in aqueous solution as a function of pH	The journal of physical chemistry. A
15181630	20040701	Adducts of Rh2[MTPA]4 with some phosphine chalcogenides: nature of binding and ligand exchange	Magnetic resonance in chemistry : MRC

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GHS Hazard Statement:	H314 (71.11%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	23.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	105.06122053
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	105.06122053
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3