CS-1095357
3-((2-(4-Fluorophenyl)-2-oxoethyl)thio)-5-methylisothiazole-4-carbonitrile
Manufacturer: ChemScene
CAS Number: 339017-14-0
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Purity
90%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₉FN₂OS₂
Molecular Weight
292.35
Synonyms
None
SMILES
N#CC=1C(=NSC1C)SCC(=O)C2=CC=C(F)C=C2
Tpsa
53.75
Logp
3.4373
H Acceptors
5
H Donors
0
Rotatable Bonds
4
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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: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₉FN₂OS₂
Molecular Weight: 292.35
Synonyms: None
SMILES: N#CC=1C(=NSC1C)SCC(=O)C2=CC=C(F)C=C2
Tpsa: 53.75
Logp: 3.4373
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₉FN₂OS₂
Molecular Weight:
292.35
Synonyms:
None
SMILES:
N#CC=1C(=NSC1C)SCC(=O)C2=CC=C(F)C=C2
Tpsa:
53.75
Logp:
3.4373
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₇NO₂S₂
Molecular Weight: 259.39
Synonyms: None
SMILES: O=S(=O)(C1=C(N=C(C=C1C)C)SCCC)C
Tpsa: 47.03
Logp: 2.60404
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₇NO₂S₂
Molecular Weight:
259.39
Synonyms:
None
SMILES:
O=S(=O)(C1=C(N=C(C=C1C)C)SCCC)C
Tpsa:
47.03
Logp:
2.60404
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃ClN₄
Molecular Weight: 272.73
Synonyms: None
SMILES: N#CC=1C(=NC=CC1N(C)C)NC2=CC=C(Cl)C=C2
Tpsa: 51.95
Logp: 3.41628
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃ClN₄
Molecular Weight:
272.73
Synonyms:
None
SMILES:
N#CC=1C(=NC=CC1N(C)C)NC2=CC=C(Cl)C=C2
Tpsa:
51.95
Logp:
3.41628
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₈Cl₂N₂O₂
Molecular Weight: 295.12
Synonyms: None
SMILES: N#CC=1C(=NC=CC1OC)OC=2C=C(Cl)C=C(Cl)C2
Tpsa: 55.14
Logp: 4.06098
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₈Cl₂N₂O₂
Molecular Weight:
295.12
Synonyms:
None
SMILES:
N#CC=1C(=NC=CC1OC)OC=2C=C(Cl)C=C(Cl)C2
Tpsa:
55.14
Logp:
4.06098
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3