CS-0587348
2-((2-(3-Methylureido)-2-oxoethyl)thio)benzoic acid
Manufacturer: ChemScene
CAS Number: 950139-42-1
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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
C₁₁H₁₂N₂O₄S
Molecular Weight
268.29
Synonyms
None
SMILES
CNC(=O)NC(=O)CSC1=CC=CC=C1C(=O)O
Tpsa
95.5
Logp
0.9325
H Acceptors
4
H Donors
3
Rotatable Bonds
4
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: C₁₁H₁₂N₂O₄S
Molecular Weight: 268.29
Synonyms: None
SMILES: CNC(=O)NC(=O)CSC1=CC=CC=C1C(=O)O
Tpsa: 95.5
Logp: 0.9325
H Acceptors: 4
H Donors: 3
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:
C₁₁H₁₂N₂O₄S
Molecular Weight:
268.29
Synonyms:
None
SMILES:
CNC(=O)NC(=O)CSC1=CC=CC=C1C(=O)O
Tpsa:
95.5
Logp:
0.9325
H Acceptors:
4
H Donors:
3
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: C₁₂H₈O₃S
Molecular Weight: 232.26
Synonyms: Phenoxathiin, 10,10-dioxide
SMILES: C1=CC=C2C(=C1)OC3=CC=CC=C3S2(=O)=O
Tpsa: 43.37
Logp: 2.6251
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈O₃S
Molecular Weight:
232.26
Synonyms:
Phenoxathiin, 10,10-dioxide
SMILES:
C1=CC=C2C(=C1)OC3=CC=CC=C3S2(=O)=O
Tpsa:
43.37
Logp:
2.6251
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂BrIO
Molecular Weight: 355.01
Synonyms: None
SMILES: IC1=CC=CC=C1OCCCCBr
Tpsa: 9.23
Logp: 3.8451
H Acceptors: 1
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:
C₁₀H₁₂BrIO
Molecular Weight:
355.01
Synonyms:
None
SMILES:
IC1=CC=CC=C1OCCCCBr
Tpsa:
9.23
Logp:
3.8451
H Acceptors:
1
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: C₁₁H₁₉NO₃
Molecular Weight: 213.27
Synonyms: 2,2-Dimethyl-4-oxo-4-piperidin-1-yl-butyric acid
SMILES: O=C(O)C(C)(C)CC(N1CCCCC1)=O
Tpsa: 57.61
Logp: 1.4998
H Acceptors: 2
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:
C₁₁H₁₉NO₃
Molecular Weight:
213.27
Synonyms:
2,2-Dimethyl-4-oxo-4-piperidin-1-yl-butyric acid
SMILES:
O=C(O)C(C)(C)CC(N1CCCCC1)=O
Tpsa:
57.61
Logp:
1.4998
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3