CS-0567012
1,2-Bis(4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazin-1-yl)ethanone Vortioxetine Impurity
Manufacturer: ChemScene
CAS Number: 2476761-84-7
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₈H₄₄N₄OS₂
Molecular Weight
636.91
Synonyms
Vortioxetine Impurity 52
SMILES
O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa
30.03
Logp
7.69348
H Acceptors
6
H Donors
0
Rotatable Bonds
8
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₄₄N₄OS₂
Molecular Weight: 636.91
Synonyms: Vortioxetine Impurity 52
SMILES: O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa: 30.03
Logp: 7.69348
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₄N₄OS₂
Molecular Weight:
636.91
Synonyms:
Vortioxetine Impurity 52
SMILES:
O=C(CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2)N4CCN(CC4)C5=C(SC6=CC=C(C)C=C6C)C=CC=C5
Tpsa:
30.03
Logp:
7.69348
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂N₂OS
Molecular Weight: 326.46
Synonyms: 4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine-1-carbaldehyde
SMILES: O=CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2
Tpsa: 23.55
Logp: 3.73304
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₂N₂OS
Molecular Weight:
326.46
Synonyms:
4-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine-1-carbaldehyde
SMILES:
O=CN1CCN(CC1)C2=C(SC3=CC=C(C)C=C3C)C=CC=C2
Tpsa:
23.55
Logp:
3.73304
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD13250178
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆F₃NO₂
Molecular Weight: 205.13
Synonyms: 3-methyl-5-trifluoromethylnitrobenzene
SMILES: FC(C1=CC([N+]([O-])=O)=CC(C)=C1)(F)F
Tpsa: 43.14
Logp: 2.92202
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD13250178
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆F₃NO₂
Molecular Weight:
205.13
Synonyms:
3-methyl-5-trifluoromethylnitrobenzene
SMILES:
FC(C1=CC([N+]([O-])=O)=CC(C)=C1)(F)F
Tpsa:
43.14
Logp:
2.92202
H Acceptors:
2
H Donors:
0
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: C₅H₂F₃NOS
Molecular Weight: 181.14
Synonyms: None
SMILES: O=CC1=C(C(F)(F)F)C=NS1
Tpsa: 29.96
Logp: 1.9744
H Acceptors: 3
H Donors: 0
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:
C₅H₂F₃NOS
Molecular Weight:
181.14
Synonyms:
None
SMILES:
O=CC1=C(C(F)(F)F)C=NS1
Tpsa:
29.96
Logp:
1.9744
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1