CS-0613955
3-((Methylsulfonyl)methyl)isothiazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1896052-29-1
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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
C₆H₇NO₄S₂
Molecular Weight
221.25
Synonyms
None
SMILES
O=C(C1=CC(CS(=O)(C)=O)=NS1)O
Tpsa
84.33
Logp
0.3859
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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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
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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: C₆H₇NO₄S₂
Molecular Weight: 221.25
Synonyms: None
SMILES: O=C(C1=CC(CS(=O)(C)=O)=NS1)O
Tpsa: 84.33
Logp: 0.3859
H Acceptors: 5
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:
C₆H₇NO₄S₂
Molecular Weight:
221.25
Synonyms:
None
SMILES:
O=C(C1=CC(CS(=O)(C)=O)=NS1)O
Tpsa:
84.33
Logp:
0.3859
H Acceptors:
5
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: C₈H₃BrClNO₃
Molecular Weight: 276.47
Synonyms: None
SMILES: O=C(O1)NC2=CC(Br)=C(Cl)C=C2C1=O
Tpsa: 63.07
Logp: 1.8972
H Acceptors: 3
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:
C₈H₃BrClNO₃
Molecular Weight:
276.47
Synonyms:
None
SMILES:
O=C(O1)NC2=CC(Br)=C(Cl)C=C2C1=O
Tpsa:
63.07
Logp:
1.8972
H Acceptors:
3
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: C₁₅H₂₀BClN₂O₂
Molecular Weight: 306.60
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=C(C)C(Cl)=CC3=C2C=NN3C)O1
Tpsa: 36.28
Logp: 2.83432
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:
C₁₅H₂₀BClN₂O₂
Molecular Weight:
306.60
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=C(C)C(Cl)=CC3=C2C=NN3C)O1
Tpsa:
36.28
Logp:
2.83432
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: C₆H₁₁ClN₂O
Molecular Weight: 162.62
Synonyms: None
SMILES: N#CCC1(O)CNCC1.Cl
Tpsa: 56.05
Logp: 0.04628
H Acceptors: 3
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:
C₆H₁₁ClN₂O
Molecular Weight:
162.62
Synonyms:
None
SMILES:
N#CCC1(O)CNCC1.Cl
Tpsa:
56.05
Logp:
0.04628
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1