CS-0645277
α-Ethyl-4-(methylthio)benzenepropanoic acid
Manufacturer: ChemScene
CAS Number: 1781077-79-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₆O₂S
Molecular Weight
224.32
Synonyms
None
SMILES
CSC1=CC=C(C=C1)CC(C(O)=O)CC
Tpsa
37.3
Logp
3.0618
H Acceptors
2
H Donors
1
Rotatable Bonds
5
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O₂S
Molecular Weight: 224.32
Synonyms: None
SMILES: CSC1=CC=C(C=C1)CC(C(O)=O)CC
Tpsa: 37.3
Logp: 3.0618
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆O₂S
Molecular Weight:
224.32
Synonyms:
None
SMILES:
CSC1=CC=C(C=C1)CC(C(O)=O)CC
Tpsa:
37.3
Logp:
3.0618
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉NO₂
Molecular Weight: 221.30
Synonyms: None
SMILES: CN(C1=CC=C(C=C1)CC(C(O)=O)CC)C
Tpsa: 40.54
Logp: 2.4059
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉NO₂
Molecular Weight:
221.30
Synonyms:
None
SMILES:
CN(C1=CC=C(C=C1)CC(C(O)=O)CC)C
Tpsa:
40.54
Logp:
2.4059
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₄
Molecular Weight: 223.23
Synonyms: None
SMILES: CCC(CC1=CC=CC=C1[N+]([O-])=O)C(O)=O
Tpsa: 80.44
Logp: 2.2481
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₄
Molecular Weight:
223.23
Synonyms:
None
SMILES:
CCC(CC1=CC=CC=C1[N+]([O-])=O)C(O)=O
Tpsa:
80.44
Logp:
2.2481
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅FO₂
Molecular Weight: 210.24
Synonyms: None
SMILES: O=C(C(C(C)C)CC1=CC(F)=CC=C1)O
Tpsa: 37.3
Logp: 2.725
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅FO₂
Molecular Weight:
210.24
Synonyms:
None
SMILES:
O=C(C(C(C)C)CC1=CC(F)=CC=C1)O
Tpsa:
37.3
Logp:
2.725
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
4