CS-0279116
2-(((8-Chloro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)thio)propanoic acid
Manufacturer: ChemScene
CAS Number: 1098372-23-6
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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
C₁₂H₁₃ClO₄S
Molecular Weight
288.75
Synonyms
None
SMILES
CC(SCC1=CC(Cl)=C(OCCO2)C2=C1)C(O)=O
Tpsa
55.76
Logp
2.8175
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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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: C₁₂H₁₃ClO₄S
Molecular Weight: 288.75
Synonyms: None
SMILES: CC(SCC1=CC(Cl)=C(OCCO2)C2=C1)C(O)=O
Tpsa: 55.76
Logp: 2.8175
H Acceptors: 4
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:
C₁₂H₁₃ClO₄S
Molecular Weight:
288.75
Synonyms:
None
SMILES:
CC(SCC1=CC(Cl)=C(OCCO2)C2=C1)C(O)=O
Tpsa:
55.76
Logp:
2.8175
H Acceptors:
4
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: C₁₁H₁₁ClO₄S
Molecular Weight: 274.72
Synonyms: None
SMILES: CC(SCC1=CC(Cl)=C(OCO2)C2=C1)C(O)=O
Tpsa: 55.76
Logp: 2.775
H Acceptors: 4
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:
C₁₁H₁₁ClO₄S
Molecular Weight:
274.72
Synonyms:
None
SMILES:
CC(SCC1=CC(Cl)=C(OCO2)C2=C1)C(O)=O
Tpsa:
55.76
Logp:
2.775
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁BrO₂S
Molecular Weight: 275.16
Synonyms: None
SMILES: CC(SCC1=CC=C(Br)C=C1)C(O)=O
Tpsa: 37.3
Logp: 3.1554
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁BrO₂S
Molecular Weight:
275.16
Synonyms:
None
SMILES:
CC(SCC1=CC=C(Br)C=C1)C(O)=O
Tpsa:
37.3
Logp:
3.1554
H Acceptors:
2
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: C₁₃H₁₅NO₂S
Molecular Weight: 249.33
Synonyms: Butanoic acid, 3-[[(3-cyanophenyl)methyl]thio]-, methyl ester
SMILES: CC(SCC1=CC=CC(C#N)=C1)CC(OC)=O
Tpsa: 50.09
Logp: 2.74308
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₅NO₂S
Molecular Weight:
249.33
Synonyms:
Butanoic acid, 3-[[(3-cyanophenyl)methyl]thio]-, methyl ester
SMILES:
CC(SCC1=CC=CC(C#N)=C1)CC(OC)=O
Tpsa:
50.09
Logp:
2.74308
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5