CS-1027597
3-Isopropylisothiazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1781662-49-4
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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
C₇H₉NO₂S
Molecular Weight
171.22
Synonyms
None
SMILES
O=C(O)C=1SN=C(C1)C(C)C
Tpsa
50.19
Logp
1.9647
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉NO₂S
Molecular Weight: 171.22
Synonyms: None
SMILES: O=C(O)C=1SN=C(C1)C(C)C
Tpsa: 50.19
Logp: 1.9647
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉NO₂S
Molecular Weight:
171.22
Synonyms:
None
SMILES:
O=C(O)C=1SN=C(C1)C(C)C
Tpsa:
50.19
Logp:
1.9647
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NO₂
Molecular Weight: 207.27
Synonyms: None
SMILES: OCC1(C2=CC=C(OC)C=C2)CNCC1
Tpsa: 41.49
Logp: 0.9186
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₇NO₂
Molecular Weight:
207.27
Synonyms:
None
SMILES:
OCC1(C2=CC=C(OC)C=C2)CNCC1
Tpsa:
41.49
Logp:
0.9186
H Acceptors:
3
H Donors:
2
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: C₁₂H₁₂F₂O₂
Molecular Weight: 226.22
Synonyms: None
SMILES: O=C(O)C1(C2=CC=C(C=C2)C)CC(F)(F)C1
Tpsa: 37.3
Logp: 2.74652
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂F₂O₂
Molecular Weight:
226.22
Synonyms:
None
SMILES:
O=C(O)C1(C2=CC=C(C=C2)C)CC(F)(F)C1
Tpsa:
37.3
Logp:
2.74652
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄BrNO₂
Molecular Weight: 226.03
Synonyms: None
SMILES: O=CC=1ON=C2C=C(Br)C=CC21
Tpsa: 43.1
Logp: 2.4028
H Acceptors: 3
H Donors: 0
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:
C₈H₄BrNO₂
Molecular Weight:
226.03
Synonyms:
None
SMILES:
O=CC=1ON=C2C=C(Br)C=CC21
Tpsa:
43.1
Logp:
2.4028
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1