CS-1101254
4-Chloro-5-fluoro-6-(methylthio)nicotinic acid
Manufacturer: ChemScene
CAS Number: 3036760-91-2
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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
C₇H₅ClFNO₂S
Molecular Weight
221.64
Synonyms
None
SMILES
O=C(C1=C(Cl)C(F)=C(SC)N=C1)O
Tpsa
50.19
Logp
2.2942
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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: C₇H₅ClFNO₂S
Molecular Weight: 221.64
Synonyms: None
SMILES: O=C(C1=C(Cl)C(F)=C(SC)N=C1)O
Tpsa: 50.19
Logp: 2.2942
H Acceptors: 3
H Donors: 1
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:
C₇H₅ClFNO₂S
Molecular Weight:
221.64
Synonyms:
None
SMILES:
O=C(C1=C(Cl)C(F)=C(SC)N=C1)O
Tpsa:
50.19
Logp:
2.2942
H Acceptors:
3
H Donors:
1
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: C₈H₄ClN₃S
Molecular Weight: 209.66
Synonyms: None
SMILES: N#CC1=C(N)SC2=C1C=CN=C2Cl
Tpsa: 62.7
Logp: 2.40358
H Acceptors: 4
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:
C₈H₄ClN₃S
Molecular Weight:
209.66
Synonyms:
None
SMILES:
N#CC1=C(N)SC2=C1C=CN=C2Cl
Tpsa:
62.7
Logp:
2.40358
H Acceptors:
4
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: C₆H₁₁NO
Molecular Weight: 113.16
Synonyms: None
SMILES: NC[C@]12COC[C@@]1([H])C2
Tpsa: 35.25
Logp: -0.0184
H Acceptors: 2
H Donors: 1
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:
C₆H₁₁NO
Molecular Weight:
113.16
Synonyms:
None
SMILES:
NC[C@]12COC[C@@]1([H])C2
Tpsa:
35.25
Logp:
-0.0184
H Acceptors:
2
H Donors:
1
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: C₇H₁₅NO
Molecular Weight: 129.20
Synonyms: None
SMILES: OC[C@@H]1N(C)C[C@@H](C)C1
Tpsa: 23.47
Logp: 0.3189
H Acceptors: 2
H Donors: 1
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:
C₇H₁₅NO
Molecular Weight:
129.20
Synonyms:
None
SMILES:
OC[C@@H]1N(C)C[C@@H](C)C1
Tpsa:
23.47
Logp:
0.3189
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1