CS-0540130
Methyl 3-(methylsulfinyl)benzoate
Manufacturer: ChemScene
CAS Number: 102653-81-6
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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
C₉H₁₀O₃S
Molecular Weight
198.24
Synonyms
3-(methylsulfinyl)benzoic acid methyl ester
SMILES
COC(=O)C1=CC(=CC=C1)S(=O)C
Tpsa
43.37
Logp
1.2106
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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: C₉H₁₀O₃S
Molecular Weight: 198.24
Synonyms: 3-(methylsulfinyl)benzoic acid methyl ester
SMILES: COC(=O)C1=CC(=CC=C1)S(=O)C
Tpsa: 43.37
Logp: 1.2106
H Acceptors: 3
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:
C₉H₁₀O₃S
Molecular Weight:
198.24
Synonyms:
3-(methylsulfinyl)benzoic acid methyl ester
SMILES:
COC(=O)C1=CC(=CC=C1)S(=O)C
Tpsa:
43.37
Logp:
1.2106
H Acceptors:
3
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: C₉H₇NO
Molecular Weight: 145.16
Synonyms: None
SMILES: N#CC1=CC2=C(COC2)C=C1
Tpsa: 33.02
Logp: 1.58848
H Acceptors: 2
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:
C₉H₇NO
Molecular Weight:
145.16
Synonyms:
None
SMILES:
N#CC1=CC2=C(COC2)C=C1
Tpsa:
33.02
Logp:
1.58848
H Acceptors:
2
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: C₈H₉N₃O₂
Molecular Weight: 179.18
Synonyms: None
SMILES: O=C1NC2=CC(CN)=CN=C2OC1
Tpsa: 77.24
Logp: -0.1288
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₃O₂
Molecular Weight:
179.18
Synonyms:
None
SMILES:
O=C1NC2=CC(CN)=CN=C2OC1
Tpsa:
77.24
Logp:
-0.1288
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₂
Molecular Weight: 249.31
Synonyms: None
SMILES: O=C(N1[C@@H](C2=NC=CC=N2)CCC1)OC(C)(C)C
Tpsa: 55.32
Logp: 2.5486
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₂
Molecular Weight:
249.31
Synonyms:
None
SMILES:
O=C(N1[C@@H](C2=NC=CC=N2)CCC1)OC(C)(C)C
Tpsa:
55.32
Logp:
2.5486
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1