3-(METHYLTHIO)PROPYLAMINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H11NS
Molecular Weight	105.202
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(METHYLTHIO)PROPYLAMINE

SMILES

CSCCCN

InChI

InChIKey=KKYSBGWCYXYOHA-UHFFFAOYSA-N

InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H11NS
Molecular Weight	105.202
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
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.	2006 Mar 8	16506826

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Patents

Substance Class	Chemical
Record UNII	1IAP0CGD5S
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

3-(METHYLTHIO)PROPYLAMINE

Systematic Name

English

1-PROPANAMINE, 3-(METHYLTHIO)-

Systematic Name

English

FEMA NO. 4649

Code

English

S-METHYLHOMOCYSTEAMINE

Common Name

English

3-(METHYLMERCAPTO)PROPYLAMINE

Systematic Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-(METHYLTHIO)PROPYLAMINE

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Code System

Code

Type

Description

CAS

4104-45-4

PRIMARY

PUBCHEM

77743

PRIMARY

CHEBI

16696

PRIMARY

EPA CompTox

DTXSID1063300

PRIMARY

ECHA (EC/EINECS)

223-875-2

PRIMARY

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