CS-0590817
4-((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thio)butanenitrile
Manufacturer: ChemScene
CAS Number: 1252395-70-2
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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
C1COC2=C(C=C(C=C2)SCCCC#N)OC1
Tpsa
42.25
Logp
3.24378
H Acceptors
4
H Donors
0
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: C₁₃H₁₅NO₂S
Molecular Weight: 249.33
Synonyms: None
SMILES: C1COC2=C(C=C(C=C2)SCCCC#N)OC1
Tpsa: 42.25
Logp: 3.24378
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₅NO₂S
Molecular Weight:
249.33
Synonyms:
None
SMILES:
C1COC2=C(C=C(C=C2)SCCCC#N)OC1
Tpsa:
42.25
Logp:
3.24378
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD19704350
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₂O₂
Molecular Weight: 168.19
Synonyms: None
SMILES: CCC(C)OC1=CC(=O)NN=C1
Tpsa: 54.98
Logp: 0.9472
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD19704350
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₂O₂
Molecular Weight:
168.19
Synonyms:
None
SMILES:
CCC(C)OC1=CC(=O)NN=C1
Tpsa:
54.98
Logp:
0.9472
H Acceptors:
3
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: C₉H₇FN₂O
Molecular Weight: 178.16
Synonyms: None
SMILES: OC1=CC=C(C2=CC=NN2)C=C1F
Tpsa: 48.91
Logp: 1.9214
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇FN₂O
Molecular Weight:
178.16
Synonyms:
None
SMILES:
OC1=CC=C(C2=CC=NN2)C=C1F
Tpsa:
48.91
Logp:
1.9214
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇FN₂O
Molecular Weight: 178.16
Synonyms: None
SMILES: C1=CC(=C(C=C1F)O)C2=CC=NN2
Tpsa: 48.91
Logp: 1.9214
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇FN₂O
Molecular Weight:
178.16
Synonyms:
None
SMILES:
C1=CC(=C(C=C1F)O)C2=CC=NN2
Tpsa:
48.91
Logp:
1.9214
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1