CS-0346759
Methyl 3-((4-cyanobenzyl)thio)-2-methylpropanoate
Manufacturer: ChemScene
CAS Number: 1427573-27-0
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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
C₁₃H₁₅NO₂S
Molecular Weight
249.33
Synonyms
None
SMILES
O=C(OC)C(C)CSCC1=CC=C(C#N)C=C1
Tpsa
50.09
Logp
2.60058
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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: C₁₃H₁₅NO₂S
Molecular Weight: 249.33
Synonyms: None
SMILES: O=C(OC)C(C)CSCC1=CC=C(C#N)C=C1
Tpsa: 50.09
Logp: 2.60058
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₅NO₂S
Molecular Weight:
249.33
Synonyms:
None
SMILES:
O=C(OC)C(C)CSCC1=CC=C(C#N)C=C1
Tpsa:
50.09
Logp:
2.60058
H Acceptors:
4
H Donors:
0
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: C₁₂H₁₈N₄O₂
Molecular Weight: 250.30
Synonyms: None
SMILES: O=C(OC)C(C=C1)=NN=C1N(CCC2)CCN2C
Tpsa: 58.56
Logp: 0.4051
H Acceptors: 6
H Donors: 0
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:
C₁₂H₁₈N₄O₂
Molecular Weight:
250.30
Synonyms:
None
SMILES:
O=C(OC)C(C=C1)=NN=C1N(CCC2)CCN2C
Tpsa:
58.56
Logp:
0.4051
H Acceptors:
6
H Donors:
0
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: C₈H₁₂N₂O₃
Molecular Weight: 184.19
Synonyms: None
SMILES: O=C(OC)C(C1=C(C)N(C)N=C1)O
Tpsa: 64.35
Logp: -0.06508
H Acceptors: 5
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:
C₈H₁₂N₂O₃
Molecular Weight:
184.19
Synonyms:
None
SMILES:
O=C(OC)C(C1=C(C)N(C)N=C1)O
Tpsa:
64.35
Logp:
-0.06508
H Acceptors:
5
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: C₁₀H₁₁BrO₄
Molecular Weight: 275.10
Synonyms: None
SMILES: O=C(OC)C(C1=CC(Br)=CC=C1OC)O
Tpsa: 55.76
Logp: 1.6641
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁BrO₄
Molecular Weight:
275.10
Synonyms:
None
SMILES:
O=C(OC)C(C1=CC(Br)=CC=C1OC)O
Tpsa:
55.76
Logp:
1.6641
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3