CS-1093792
4-Methyl-3-oxo-2-(thiophen-2-ylmethylene)-4-(1H-1,2,4-triazol-1-yl)pentanenitrile
Manufacturer: ChemScene
CAS Number: 338759-04-9
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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
C₁₃H₁₂N₄OS
Molecular Weight
272.33
Synonyms
None
SMILES
N#CC(=CC=1SC=CC1)C(=O)C(N2N=CN=C2)(C)C
Tpsa
71.57
Logp
2.25098
H Acceptors
6
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: C₁₃H₁₂N₄OS
Molecular Weight: 272.33
Synonyms: None
SMILES: N#CC(=CC=1SC=CC1)C(=O)C(N2N=CN=C2)(C)C
Tpsa: 71.57
Logp: 2.25098
H Acceptors: 6
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:
C₁₃H₁₂N₄OS
Molecular Weight:
272.33
Synonyms:
None
SMILES:
N#CC(=CC=1SC=CC1)C(=O)C(N2N=CN=C2)(C)C
Tpsa:
71.57
Logp:
2.25098
H Acceptors:
6
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: C₁₆H₁₅N₃O₂
Molecular Weight: 281.31
Synonyms: None
SMILES: O=C(C(=NNC=1C=CC=CC1)C=NOC)C=2C=CC=CC2
Tpsa: 63.05
Logp: 2.9696
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₅N₃O₂
Molecular Weight:
281.31
Synonyms:
None
SMILES:
O=C(C(=NNC=1C=CC=CC1)C=NOC)C=2C=CC=CC2
Tpsa:
63.05
Logp:
2.9696
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄ClF₃N₂O₂S
Molecular Weight: 390.81
Synonyms: None
SMILES: O=S(=O)(C=1C=CC=CC1)C(=CN(C)C)C2=NC=C(C=C2Cl)C(F)(F)F
Tpsa: 50.27
Logp: 4.0877
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:
C₁₆H₁₄ClF₃N₂O₂S
Molecular Weight:
390.81
Synonyms:
None
SMILES:
O=S(=O)(C=1C=CC=CC1)C(=CN(C)C)C2=NC=C(C=C2Cl)C(F)(F)F
Tpsa:
50.27
Logp:
4.0877
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: C₁₄H₁₇N₃O₃
Molecular Weight: 275.30
Synonyms: None
SMILES: O=C1C(=CN(C)C)CN(C2=CC=C(C=C2)N(=O)=O)CC1
Tpsa: 66.69
Logp: 1.8195
H Acceptors: 5
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:
C₁₄H₁₇N₃O₃
Molecular Weight:
275.30
Synonyms:
None
SMILES:
O=C1C(=CN(C)C)CN(C2=CC=C(C=C2)N(=O)=O)CC1
Tpsa:
66.69
Logp:
1.8195
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3