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102016-58-0,MFCD00266583
Catalog No.:AA000699
102016-58-0 | 3-[4-(Methylsulfanyl)phenyl]acrylic acid
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Purity
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1g
98%+
2 weeks  
$124.00   $87.00
- +
5g
98%+
2 weeks  
$254.00   $178.00
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25g
98%+
2 weeks  
$616.00   $431.00
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Technical Information
Catalog Number:
AA000699
Chemical Name:
3-[4-(Methylsulfanyl)phenyl]acrylic acid
CAS Number:
102016-58-0
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
MDL Number:
MFCD00266583
IUPAC Name:
(E)-3-(4-methylsulfanylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H10O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChI Key:
AHBHKZCSIUIANZ-QPJJXVBHSA-N
SMILES:
CSc1ccc(cc1)C=CC(=O)O
Properties
Computed Properties
 
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
102016-58-0 
3-[4-(methylsulfanyl)phenyl]acrylic acid 
p-[Methylthio]cinnamic acid 
(2E)-3-(4-methylthiophenyl)prop-2-enoic acid 
AK305277 
AC1LEGTK 
AC1Q4GXR 
4-(Methylthio)cinnamic acid 
methylsulfanylphenylacrylicacid 
SCHEMBL5048433 
2-Propenoic acid, 3-[4-(methylthio)phenyl]-, (2E)- 
JS-039C 
3-(4-(Methylthio)phenyl)acrylic acid 
HMS1408J08 
ZINC153706 
BCP21427 
ZX-AT003670 
MFCD00266583 
SBB002370 
AKOS001137474 
AKOS025310072 
FCH3499034 
FCH4930232 
(E)-3-(4-(methylthio)phenyl)acrylic acid 
NE43884 
OR13167 
RP11481 
RP18438 
RTR-000484 
IDI1_007721 
BBV-38776779 
BBV-75779842 
SC-39309 
TR-000484 
140134-65-2 
(2E)-3-[4-(methylthio)phenyl]acrylic acid 
(E)-3-(4-Methylsulfanylphenyl)acrylic Acid 
ST51043342 
Z3559 
EN300-05189 
(E)-3-(4-methylsulfanylphenyl)prop-2-enoic acid 
I01-9496 
(2E)-3-[4-(Methylsulfanyl)phenyl]-2-propenoic acid # 
C10H10O2S 
CID735858 
3-(4-Methylsulfanyl-phenyl)-acrylic acid 
3-[4-(METHYLSULFANYL)PHENYL]ACRYLICACID 
1003-03-8 
AHBHKZCSIUIANZ-QPJJXVBHSA-N 
3-[4-(methylsulfanyl)phenyl]prop-2-enoic acid 
AA-768/25019001 
(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoic acid 
Literature
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