CS-1035878
3-Methyl-2-(3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid
Manufacturer: ChemScene
CAS Number: 186130-14-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₃NO₃S
Molecular Weight
251.30
Synonyms
None
SMILES
O=C(O)C(N1SC=2C=CC=CC2C1=O)C(C)C
Tpsa
59.3
Logp
2.3447
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO₃S
Molecular Weight: 251.30
Synonyms: None
SMILES: O=C(O)C(N1SC=2C=CC=CC2C1=O)C(C)C
Tpsa: 59.3
Logp: 2.3447
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO₃S
Molecular Weight:
251.30
Synonyms:
None
SMILES:
O=C(O)C(N1SC=2C=CC=CC2C1=O)C(C)C
Tpsa:
59.3
Logp:
2.3447
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄O₄
Molecular Weight: 174.19
Synonyms: None
SMILES: O=C(O)C1(OC(C)C)COCC1
Tpsa: 55.76
Logp: 0.6551
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₄O₄
Molecular Weight:
174.19
Synonyms:
None
SMILES:
O=C(O)C1(OC(C)C)COCC1
Tpsa:
55.76
Logp:
0.6551
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅NOS
Molecular Weight: 197.30
Synonyms: None
SMILES: OC1CCCCCC1C=2N=CSC2
Tpsa: 33.12
Logp: 2.5517
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅NOS
Molecular Weight:
197.30
Synonyms:
None
SMILES:
OC1CCCCCC1C=2N=CSC2
Tpsa:
33.12
Logp:
2.5517
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉BrFNO₂S
Molecular Weight: 282.13
Synonyms: None
SMILES: O=S(=O)(NCC)C=1C=C(F)C=C(Br)C1
Tpsa: 46.17
Logp: 1.8864
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉BrFNO₂S
Molecular Weight:
282.13
Synonyms:
None
SMILES:
O=S(=O)(NCC)C=1C=C(F)C=C(Br)C1
Tpsa:
46.17
Logp:
1.8864
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3