CS-1003492
Benzoic acid, 3-fluoro-2-[(phenylthio)methyl]-, methyl ester
Manufacturer: ChemScene
CAS Number: 2954948-34-4
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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
C₁₅H₁₃FO₂S
Molecular Weight
276.33
Synonyms
None
SMILES
O=C(OC)C=1C=CC=C(F)C1CSC=2C=CC=CC2
Tpsa
26.3
Logp
3.9046
H Acceptors
3
H Donors
0
Rotatable Bonds
4
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₅H₁₃FO₂S
Molecular Weight: 276.33
Synonyms: None
SMILES: O=C(OC)C=1C=CC=C(F)C1CSC=2C=CC=CC2
Tpsa: 26.3
Logp: 3.9046
H Acceptors: 3
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:
C₁₅H₁₃FO₂S
Molecular Weight:
276.33
Synonyms:
None
SMILES:
O=C(OC)C=1C=CC=C(F)C1CSC=2C=CC=CC2
Tpsa:
26.3
Logp:
3.9046
H Acceptors:
3
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: C₉H₁₅N₃O₄S
Molecular Weight: 261.30
Synonyms: None
SMILES: O(C[C@H](CO)O)C=1C(=NSN1)N2CCOCC2
Tpsa: 87.94
Logp: -0.8933
H Acceptors: 8
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:
C₉H₁₅N₃O₄S
Molecular Weight:
261.30
Synonyms:
None
SMILES:
O(C[C@H](CO)O)C=1C(=NSN1)N2CCOCC2
Tpsa:
87.94
Logp:
-0.8933
H Acceptors:
8
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: C₆H₁₇ClN₂O
Molecular Weight: 168.66
Synonyms: None
SMILES: Cl.O(CCNC)CCNC
Tpsa: 33.29
Logp: -0.1364
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₇ClN₂O
Molecular Weight:
168.66
Synonyms:
None
SMILES:
Cl.O(CCNC)CCNC
Tpsa:
33.29
Logp:
-0.1364
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₈O₅
Molecular Weight: 256.21
Synonyms: None
SMILES: O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=CC=C(O)C13
Tpsa: 94.83
Logp: 1.5788
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₈O₅
Molecular Weight:
256.21
Synonyms:
None
SMILES:
O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=CC=C(O)C13
Tpsa:
94.83
Logp:
1.5788
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
0