CS-1098175
3-Formyl-5-isothiazolecarboxylic acid
Manufacturer: ChemScene
CAS Number: 2168445-34-7
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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
C₅H₃NO₃S
Molecular Weight
157.15
Synonyms
None
SMILES
O=C(C1=CC(C=O)=NS1)O
Tpsa
67.26
Logp
0.6538
H Acceptors
4
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: C₅H₃NO₃S
Molecular Weight: 157.15
Synonyms: None
SMILES: O=C(C1=CC(C=O)=NS1)O
Tpsa: 67.26
Logp: 0.6538
H Acceptors: 4
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:
C₅H₃NO₃S
Molecular Weight:
157.15
Synonyms:
None
SMILES:
O=C(C1=CC(C=O)=NS1)O
Tpsa:
67.26
Logp:
0.6538
H Acceptors:
4
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: C₉H₁₄N₂O₂S
Molecular Weight: 214.28
Synonyms: None
SMILES: O=C(C1=C(N)C(C)=NS1)OC(C)(C)C
Tpsa: 65.21
Logp: 1.98902
H Acceptors: 5
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:
C₉H₁₄N₂O₂S
Molecular Weight:
214.28
Synonyms:
None
SMILES:
O=C(C1=C(N)C(C)=NS1)OC(C)(C)C
Tpsa:
65.21
Logp:
1.98902
H Acceptors:
5
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: C₈H₃F₃N₂O₂
Molecular Weight: 216.12
Synonyms: None
SMILES: O=C(C1=NC=C(C(F)(F)F)C(C#N)=C1)O
Tpsa: 73.98
Logp: 1.67028
H Acceptors: 3
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:
C₈H₃F₃N₂O₂
Molecular Weight:
216.12
Synonyms:
None
SMILES:
O=C(C1=NC=C(C(F)(F)F)C(C#N)=C1)O
Tpsa:
73.98
Logp:
1.67028
H Acceptors:
3
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: C₁₀H₉NO₄
Molecular Weight: 207.18
Synonyms: None
SMILES: O=C(C1=CC=C2NC(CCOC2=C1)=O)O
Tpsa: 75.63
Logp: 1.1058
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:
C₁₀H₉NO₄
Molecular Weight:
207.18
Synonyms:
None
SMILES:
O=C(C1=CC=C2NC(CCOC2=C1)=O)O
Tpsa:
75.63
Logp:
1.1058
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1