3-(METHYLTHIO)-1-PROPANOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H10OS
Molecular Weight	106.187
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(METHYLTHIO)-1-PROPANOL

SMILES

CSCCCO

InChI

InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N

InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H10OS
Molecular Weight	106.187
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

PubMed

Show entries

Title	Date	PubMed
Prediction of aged red wine aroma properties from aroma chemical composition. Partial least squares regression models.	2003 Apr 23	12696960
Changes in the concentration of yeast-derived volatile compounds of red wine during malolactic fermentation with four commercial starter cultures of Oenococcus oeni.	2005 Dec 28	16366706
Production of volatile organic compounds (VOCs) by yeasts isolated from the ascocarps of black (Tuber melanosporum Vitt.) and white (Tuber magnatum Pico) truffles.	2005 Nov	16187098
Alcohols, esters and heavy sulphur compounds production by pure and mixed cultures of apiculate wine yeasts.	2005 Sep 15	16099313
Methionine catabolism in Saccharomyces cerevisiae.	2006 Jan	16423070

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Substance Class	Chemical
Record UNII	H1E1U441XX
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

3-(METHYLTHIO)-1-PROPANOL

Systematic Name

English

FEMA NO. 3415

Code

English

3-METHYLMERCAPTO-1-PROPANOL

Systematic Name

English

3-(METHYLTHIO)PROPANOL

Systematic Name

English

GAMMA-METHYLMERCAPTOPROPYL ALCOHOL

Systematic Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-(METHYLTHIO)PROPANOL

Showing 1 to 1 of 1 entries

Show entries

Code System

Code

Type

Description

PUBCHEM

10448

PRIMARY

ECHA (EC/EINECS)

208-004-6

PRIMARY

EPA CompTox

DTXSID7060128

PRIMARY

CAS

505-10-2

PRIMARY

FDA UNII

H1E1U441XX

PRIMARY

Showing 1 to 5 of 8 entries

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