CS-0766243
5-mercapto-3-oxo-2,3-dihydroisothiazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 69713-32-2
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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
C₄H₃NO₃S₂
Molecular Weight
177.20
Synonyms
None
SMILES
O=C(C1=C(S)SNC1=O)O
Tpsa
70.16
Logp
0.4233
H Acceptors
4
H Donors
3
Rotatable Bonds
1
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: C₄H₃NO₃S₂
Molecular Weight: 177.20
Synonyms: None
SMILES: O=C(C1=C(S)SNC1=O)O
Tpsa: 70.16
Logp: 0.4233
H Acceptors: 4
H Donors: 3
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:
C₄H₃NO₃S₂
Molecular Weight:
177.20
Synonyms:
None
SMILES:
O=C(C1=C(S)SNC1=O)O
Tpsa:
70.16
Logp:
0.4233
H Acceptors:
4
H Donors:
3
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: C₈H₁₄O
Molecular Weight: 126.20
Synonyms: None
SMILES: CC1(CO)CCC=CC1
Tpsa: 20.23
Logp: 1.7251
H Acceptors: 1
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:
C₈H₁₄O
Molecular Weight:
126.20
Synonyms:
None
SMILES:
CC1(CO)CCC=CC1
Tpsa:
20.23
Logp:
1.7251
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆BrNO₄
Molecular Weight: 260.04
Synonyms: None
SMILES: OC1=C(C=C(C=C1)C(=O)CBr)[N+]([O-])=O
Tpsa: 80.44
Logp: 1.878
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrNO₄
Molecular Weight:
260.04
Synonyms:
None
SMILES:
OC1=C(C=C(C=C1)C(=O)CBr)[N+]([O-])=O
Tpsa:
80.44
Logp:
1.878
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: C₅H₄N₂O₅S
Molecular Weight: 204.16
Synonyms: None
SMILES: OS(=O)(=O)C1=C(C=CC=N1)[N+]([O-])=O
Tpsa: 110.4
Logp: 0.2365
H Acceptors: 5
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:
C₅H₄N₂O₅S
Molecular Weight:
204.16
Synonyms:
None
SMILES:
OS(=O)(=O)C1=C(C=CC=N1)[N+]([O-])=O
Tpsa:
110.4
Logp:
0.2365
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2