CS-1013112
5-(Methylsulfonyl)-3-isothiazolecarboxylic acid
Manufacturer: ChemScene
CAS Number: 1480682-66-3
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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
C₅H₅NO₄S₂
Molecular Weight
207.23
Synonyms
None
SMILES
O=C(C1=NSC(S(=O)(C)=O)=C1)O
Tpsa
84.33
Logp
0.2448
H Acceptors
5
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: C₅H₅NO₄S₂
Molecular Weight: 207.23
Synonyms: None
SMILES: O=C(C1=NSC(S(=O)(C)=O)=C1)O
Tpsa: 84.33
Logp: 0.2448
H Acceptors: 5
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:
C₅H₅NO₄S₂
Molecular Weight:
207.23
Synonyms:
None
SMILES:
O=C(C1=NSC(S(=O)(C)=O)=C1)O
Tpsa:
84.33
Logp:
0.2448
H Acceptors:
5
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: C₆H₃BrF₂O₂S
Molecular Weight: 257.05
Synonyms: None
SMILES: O=C(C1=CC(Br)=C(C(F)F)S1)O
Tpsa: 37.3
Logp: 3.1464
H Acceptors: 2
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:
C₆H₃BrF₂O₂S
Molecular Weight:
257.05
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=C(C(F)F)S1)O
Tpsa:
37.3
Logp:
3.1464
H Acceptors:
2
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: C₁₄H₂₀ClFN₂O₂
Molecular Weight: 302.77
Synonyms: None
SMILES: O=C(OCC1=CC=CC=C1)N([C@@H]2[C@@H](CNCC2)F)C.Cl
Tpsa: 41.57
Logp: 2.3768
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₀ClFN₂O₂
Molecular Weight:
302.77
Synonyms:
None
SMILES:
O=C(OCC1=CC=CC=C1)N([C@@H]2[C@@H](CNCC2)F)C.Cl
Tpsa:
41.57
Logp:
2.3768
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₂ClF₃O₂S
Molecular Weight: 230.59
Synonyms: None
SMILES: O=C(C1=C(Cl)C=C(C(F)(F)F)S1)O
Tpsa: 37.3
Logp: 3.1185
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:
C₆H₂ClF₃O₂S
Molecular Weight:
230.59
Synonyms:
None
SMILES:
O=C(C1=C(Cl)C=C(C(F)(F)F)S1)O
Tpsa:
37.3
Logp:
3.1185
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1