CS-0581387
2-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)thio)acetic acid
Manufacturer: ChemScene
CAS Number: 380350-54-9
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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
C₁₂H₁₅NO₃S
Molecular Weight
253.32
Synonyms
None
SMILES
O=C(O)CSCC(NC1=C(C)C=CC=C1C)=O
Tpsa
66.4
Logp
2.05974
H Acceptors
3
H Donors
2
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: C₁₂H₁₅NO₃S
Molecular Weight: 253.32
Synonyms: None
SMILES: O=C(O)CSCC(NC1=C(C)C=CC=C1C)=O
Tpsa: 66.4
Logp: 2.05974
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₅NO₃S
Molecular Weight:
253.32
Synonyms:
None
SMILES:
O=C(O)CSCC(NC1=C(C)C=CC=C1C)=O
Tpsa:
66.4
Logp:
2.05974
H Acceptors:
3
H Donors:
2
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: C₁₃H₁₀BrFS
Molecular Weight: 297.19
Synonyms: 1-bromo-4-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)F)Br
Tpsa: 0
Logp: 4.8805
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀BrFS
Molecular Weight:
297.19
Synonyms:
1-bromo-4-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILES:
C1=CC(=CC=C1CSC2=CC=C(C=C2)F)Br
Tpsa:
0
Logp:
4.8805
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₆N₂O₂
Molecular Weight: 278.39
Synonyms: None
SMILES: C1CCC(CC1)NC2CC(=O)N(C2=O)C3CCCCC3
Tpsa: 49.41
Logp: 2.3689
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₆N₂O₂
Molecular Weight:
278.39
Synonyms:
None
SMILES:
C1CCC(CC1)NC2CC(=O)N(C2=O)C3CCCCC3
Tpsa:
49.41
Logp:
2.3689
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉NaO₅
Molecular Weight: 232.17
Synonyms: Sodium 3,4-dimethoxyphenylglyoxylate
SMILES: COC1=C(C=C(C=C1)C(=O)C(=O)[O-])OC.[Na+]
Tpsa: 75.66
Logp: -3.3596
H Acceptors: 5
H Donors: 0
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:
C₁₀H₉NaO₅
Molecular Weight:
232.17
Synonyms:
Sodium 3,4-dimethoxyphenylglyoxylate
SMILES:
COC1=C(C=C(C=C1)C(=O)C(=O)[O-])OC.[Na+]
Tpsa:
75.66
Logp:
-3.3596
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4