CS-1147591
2-Benzyl-5-chloroisothiazol-3(2H)-one
Manufacturer: ChemScene
CAS Number: 26542-22-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₈ClNOS
Molecular Weight
225.69
Synonyms
None
SMILES
O=C1C=C(Cl)SN1CC=2C=CC=CC2
Tpsa
22
Logp
2.6115
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈ClNOS
Molecular Weight: 225.69
Synonyms: None
SMILES: O=C1C=C(Cl)SN1CC=2C=CC=CC2
Tpsa: 22
Logp: 2.6115
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈ClNOS
Molecular Weight:
225.69
Synonyms:
None
SMILES:
O=C1C=C(Cl)SN1CC=2C=CC=CC2
Tpsa:
22
Logp:
2.6115
H Acceptors:
3
H Donors:
0
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: C₁₄H₁₄ClN
Molecular Weight: 231.72
Synonyms: None
SMILES: ClC1=CC=C(C=C1)CC(N)C=2C=CC=CC2
Tpsa: 26.02
Logp: 3.5825
H Acceptors: 1
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:
C₁₄H₁₄ClN
Molecular Weight:
231.72
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)CC(N)C=2C=CC=CC2
Tpsa:
26.02
Logp:
3.5825
H Acceptors:
1
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: C₇H₁₁N₃
Molecular Weight: 137.19
Synonyms: None
SMILES: N=1C=C(C=CC1CN)CN
Tpsa: 64.93
Logp: -0.001
H Acceptors: 3
H Donors: 2
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:
C₇H₁₁N₃
Molecular Weight:
137.19
Synonyms:
None
SMILES:
N=1C=C(C=CC1CN)CN
Tpsa:
64.93
Logp:
-0.001
H Acceptors:
3
H Donors:
2
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: C₆H₁₁NO₂S
Molecular Weight: 161.22
Synonyms: None
SMILES: C(O)(=O)[C@@H]1C[C@H](SC)CN1
Tpsa: 49.33
Logp: 0.1645
H Acceptors: 3
H Donors: 2
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:
C₆H₁₁NO₂S
Molecular Weight:
161.22
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1C[C@H](SC)CN1
Tpsa:
49.33
Logp:
0.1645
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2