CS-0012552
3-(5-(4-Chlorophenyl)thiophen-2-yl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 685120-60-9
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Purity
98%
MDL No
MFCD04110927
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₈ClNOS
Molecular Weight
261.73
Synonyms
None
SMILES
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)CC#N
Tpsa
40.86
Logp
4.16488
H Acceptors
3
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 685120-60-9 | 2-Thiophenepropanenitrile, 5-(4-chlorophenyl)-β-oxo- | A2B Chem | -- |
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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: 98%
MDL No: MFCD04110927
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₈ClNOS
Molecular Weight: 261.73
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)CC#N
Tpsa: 40.86
Logp: 4.16488
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD04110927
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₈ClNOS
Molecular Weight:
261.73
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)CC#N
Tpsa:
40.86
Logp:
4.16488
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD16171042
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄N₂O₄S
Molecular Weight: 258.29
Synonyms: Ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
SMILES: O=C(C1=C(CC(OCC)=O)N=C(N)S1)OCC
Tpsa: 91.51
Logp: 1.0076
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD16171042
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄N₂O₄S
Molecular Weight:
258.29
Synonyms:
Ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
SMILES:
O=C(C1=C(CC(OCC)=O)N=C(N)S1)OCC
Tpsa:
91.51
Logp:
1.0076
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₉NO₂S
Molecular Weight: 241.35
Synonyms: (R)-N-(2-phenylpropyl)propane-2-sulfonaMide
SMILES: C[C@@H](CNS(=O)(C(C)C)=O)C1=CC=CC=C1
Tpsa: 46.17
Logp: 2.1179
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₉NO₂S
Molecular Weight:
241.35
Synonyms:
(R)-N-(2-phenylpropyl)propane-2-sulfonaMide
SMILES:
C[C@@H](CNS(=O)(C(C)C)=O)C1=CC=CC=C1
Tpsa:
46.17
Logp:
2.1179
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂O₃
Molecular Weight: 262.34
Synonyms: Ethyl 2-(trans-4-(4-hydroxyphenyl)cyclohexyl)acetate
SMILES: CCOC(C[C@H](CC1)CC[C@@H]1C2=CC=C(O)C=C2)=O
Tpsa: 46.53
Logp: 3.6192
H Acceptors: 3
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:
C₁₆H₂₂O₃
Molecular Weight:
262.34
Synonyms:
Ethyl 2-(trans-4-(4-hydroxyphenyl)cyclohexyl)acetate
SMILES:
CCOC(C[C@H](CC1)CC[C@@H]1C2=CC=C(O)C=C2)=O
Tpsa:
46.53
Logp:
3.6192
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4