CS-0507818
Methyl 4-((2-(methoxycarbonyl)phenyl)thio)-3-nitrobenzoate
Manufacturer: ChemScene
CAS Number: 1319194-13-2
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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
C₁₆H₁₃NO₆S
Molecular Weight
347.34
Synonyms
Benzoic acid, 4-[[2-(methoxycarbonyl)phenyl]thio]-3-nitro-, methyl ester
SMILES
O=C(OC)C1=CC=C(SC2=CC=CC=C2C(OC)=O)C([N+]([O-])=O)=C1
Tpsa
95.74
Logp
3.3192
H Acceptors
7
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1319194-13-2 | Methyl 4-((2-(methoxycarbonyl)phenyl)thio)-3-nitrobenzoate | A2B Chem | -- |
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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: C₁₆H₁₃NO₆S
Molecular Weight: 347.34
Synonyms: Benzoic acid, 4-[[2-(methoxycarbonyl)phenyl]thio]-3-nitro-, methyl ester
SMILES: O=C(OC)C1=CC=C(SC2=CC=CC=C2C(OC)=O)C([N+]([O-])=O)=C1
Tpsa: 95.74
Logp: 3.3192
H Acceptors: 7
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:
C₁₆H₁₃NO₆S
Molecular Weight:
347.34
Synonyms:
Benzoic acid, 4-[[2-(methoxycarbonyl)phenyl]thio]-3-nitro-, methyl ester
SMILES:
O=C(OC)C1=CC=C(SC2=CC=CC=C2C(OC)=O)C([N+]([O-])=O)=C1
Tpsa:
95.74
Logp:
3.3192
H Acceptors:
7
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: C₁₆H₁₅NO₄S
Molecular Weight: 317.36
Synonyms: methyl 3-amino-4-((2-(methoxycarbonyl)phenyl)thio)-benzoate
SMILES: O=C(OC)C1=CC=C(SC2=CC=CC=C2C(OC)=O)C(N)=C1
Tpsa: 78.62
Logp: 2.9932
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:
C₁₆H₁₅NO₄S
Molecular Weight:
317.36
Synonyms:
methyl 3-amino-4-((2-(methoxycarbonyl)phenyl)thio)-benzoate
SMILES:
O=C(OC)C1=CC=C(SC2=CC=CC=C2C(OC)=O)C(N)=C1
Tpsa:
78.62
Logp:
2.9932
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD00142869
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉BrClN
Molecular Weight: 222.51
Synonyms: None
SMILES: NC1=CC=C(C)C=C1Br.[H]Cl
Tpsa: 26.02
Logp: 2.76152
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD00142869
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉BrClN
Molecular Weight:
222.51
Synonyms:
None
SMILES:
NC1=CC=C(C)C=C1Br.[H]Cl
Tpsa:
26.02
Logp:
2.76152
H Acceptors:
1
H Donors:
1
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: C₉H₆N₂O₂S
Molecular Weight: 206.22
Synonyms: None
SMILES: O=[N+]([O-])C1=CN=C(C2=CC=CS2)C=C1
Tpsa: 56.03
Logp: 2.7183
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆N₂O₂S
Molecular Weight:
206.22
Synonyms:
None
SMILES:
O=[N+]([O-])C1=CN=C(C2=CC=CS2)C=C1
Tpsa:
56.03
Logp:
2.7183
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2