CS-0729967
5-(4-(Azepan-1-ylsulfonyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Manufacturer: ChemScene
CAS Number: 917561-72-9
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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
C₁₆H₂₂N₄O₂S₂
Molecular Weight
366.50
Synonyms
None
SMILES
CCN1C(=S)NN=C1C1=CC=C(C=C1)S(=O)(=O)N1CCCCCC1
Tpsa
70.99
Logp
3.19229
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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: C₁₆H₂₂N₄O₂S₂
Molecular Weight: 366.50
Synonyms: None
SMILES: CCN1C(=S)NN=C1C1=CC=C(C=C1)S(=O)(=O)N1CCCCCC1
Tpsa: 70.99
Logp: 3.19229
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂N₄O₂S₂
Molecular Weight:
366.50
Synonyms:
None
SMILES:
CCN1C(=S)NN=C1C1=CC=C(C=C1)S(=O)(=O)N1CCCCCC1
Tpsa:
70.99
Logp:
3.19229
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N₃O
Molecular Weight: 189.21
Synonyms: None
SMILES: CNC(=O)CC1=NC2=CC=CC=C2N1
Tpsa: 57.78
Logp: 0.8514
H Acceptors: 2
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:
C₁₀H₁₁N₃O
Molecular Weight:
189.21
Synonyms:
None
SMILES:
CNC(=O)CC1=NC2=CC=CC=C2N1
Tpsa:
57.78
Logp:
0.8514
H Acceptors:
2
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: C₁₅H₁₃NO₂
Molecular Weight: 239.27
Synonyms: None
SMILES: CN1C2=C(C=CC=C2)C2=C1C=C(CC(O)=O)C=C2
Tpsa: 42.23
Logp: 2.9586
H Acceptors: 2
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:
C₁₅H₁₃NO₂
Molecular Weight:
239.27
Synonyms:
None
SMILES:
CN1C2=C(C=CC=C2)C2=C1C=C(CC(O)=O)C=C2
Tpsa:
42.23
Logp:
2.9586
H Acceptors:
2
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: C₁₆H₁₉ClN₂O₂
Molecular Weight: 306.79
Synonyms: None
SMILES: ClC1=CC=C(C=C1)C(=O)N1CCC(CC1)C(=O)NCC=C
Tpsa: 49.41
Logp: 2.4944
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉ClN₂O₂
Molecular Weight:
306.79
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)C(=O)N1CCC(CC1)C(=O)NCC=C
Tpsa:
49.41
Logp:
2.4944
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4