CS-0289026
Benzyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate
Manufacturer: ChemScene
CAS Number: 923810-50-8
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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
C₁₃H₁₄N₂O₂S
Molecular Weight
262.33
Synonyms
None
SMILES
O=C(C1=C(NC)SN=C1C)OCC2=CC=CC=C2
Tpsa
51.22
Logp
2.85022
H Acceptors
5
H Donors
1
Rotatable Bonds
4
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₃H₁₄N₂O₂S
Molecular Weight: 262.33
Synonyms: None
SMILES: O=C(C1=C(NC)SN=C1C)OCC2=CC=CC=C2
Tpsa: 51.22
Logp: 2.85022
H Acceptors: 5
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:
C₁₃H₁₄N₂O₂S
Molecular Weight:
262.33
Synonyms:
None
SMILES:
O=C(C1=C(NC)SN=C1C)OCC2=CC=CC=C2
Tpsa:
51.22
Logp:
2.85022
H Acceptors:
5
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: C₁₁H₁₂N₂O₂S₂
Molecular Weight: 268.36
Synonyms: 4-Isothiazolecarboxylic acid, 3-methyl-5-(methylamino)-, 2-thienylmethyl ester
SMILES: O=C(C1=C(NC)SN=C1C)OCC2=CC=CS2
Tpsa: 51.22
Logp: 2.91172
H Acceptors: 6
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:
C₁₁H₁₂N₂O₂S₂
Molecular Weight:
268.36
Synonyms:
4-Isothiazolecarboxylic acid, 3-methyl-5-(methylamino)-, 2-thienylmethyl ester
SMILES:
O=C(C1=C(NC)SN=C1C)OCC2=CC=CS2
Tpsa:
51.22
Logp:
2.91172
H Acceptors:
6
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: C₈H₆ClFN₂O₂
Molecular Weight: 216.60
Synonyms: None
SMILES: O=C(C1=C(NC=N2)C2=CC(F)=C1)O.[H]Cl
Tpsa: 65.98
Logp: 1.822
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆ClFN₂O₂
Molecular Weight:
216.60
Synonyms:
None
SMILES:
O=C(C1=C(NC=N2)C2=CC(F)=C1)O.[H]Cl
Tpsa:
65.98
Logp:
1.822
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉NO₄
Molecular Weight: 219.19
Synonyms: 2-Anilino-4-oxo-4,5-dihydrofuran-3-carboxylic acid
SMILES: O=C(C1=C(NC2=CC=CC=C2)OCC1=O)O
Tpsa: 75.63
Logp: 0.994
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₉NO₄
Molecular Weight:
219.19
Synonyms:
2-Anilino-4-oxo-4,5-dihydrofuran-3-carboxylic acid
SMILES:
O=C(C1=C(NC2=CC=CC=C2)OCC1=O)O
Tpsa:
75.63
Logp:
0.994
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3