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51755-66-9,MFCD00010674
Catalog No.:AA003I6H
51755-66-9 | 3-(Methylthio)hexan-1-ol
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5g
95%
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$89.00   $62.00
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25g
95%
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$289.00   $202.00
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Technical Information
Catalog Number:
AA003I6H
Chemical Name:
3-(Methylthio)hexan-1-ol
CAS Number:
51755-66-9
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
MDL Number:
MFCD00010674
IUPAC Name:
3-methylsulfanylhexan-1-ol
InChI:
InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
InChI Key:
JSASXSHMJYRPCM-UHFFFAOYSA-N
SMILES:
CCCC(CCO)SC
EC Number:
257-380-8
FEMA Number:
3438
Properties
Computed Properties
 
Complexity:
56.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.092g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.264g/mol
Monoisotopic Mass:
148.092g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3-(Methylthio)-1-hexanol 
51755-66-9 
MFCD00010674 
W-105868 
C7H16OS 
3-(Methylmercapto)-1-hexanol 
FEMA No. 3438 
EINECS 257-380-8 
3-(methylthio) hexanol 
ACMC-1AWHS 
AI3-37114 
3-(methyl thio) hexanol 
3-(Methylthio)hexanol 
3-(Methylthio)-hexan-1-ol 
KSC491G8N 
SCHEMBL112659 
3-(methylsulfanyl)hexan-1-ol 
AC1L237J 
CTK3J1386 
KS-00000XBZ 
JSASXSHMJYRPCM-UHFFFAOYSA-N 
3-(Methylthio)-1-hexanol, 97% 
ANW-31327 
3-(Methylthio)hexan-1-ol 
AKOS015897450 
FCH1115477 
TRA0075169 
ACM51755669 
AN-41217 
CC-12693 
U118 
3-(Methylthio)-1-hexanol, >=97%, FG 
DB-003339 
RT-001836 
1-Hexanol, 3-(methylthio)- 
FT-0613798 
M2050 
C-02667 
I09-0137 
J-640446 
J-800460 
3- -1-hexanol 
UNII-CFU4A74TQT 
CFU4A74TQT 
1-hexanol, 3-(metilltio)- 
3-methylsulfanylhexan-1-ol 
(cyclohexenyloxy)trimethylsilane 
C7-H16-O-S 
CID65413 
ZINC00409333 
2-Methylene-3-quinuclidinone hydrochloride dihydrate 
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 
3-methylthiohexanol 
3-methylthio-1-hexanol 
3-(Methylmercapto)hexanol 
R-3-(Methylthio)-1-hexanol 
Literature

Title: Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry.

Journal: Analytica chimica acta 20101217

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