CS-0589831
3-((3-Methylbenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Manufacturer: ChemScene
CAS Number: 692287-37-9
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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
C₂₅H₂₁F₃N₂S
Molecular Weight
438.51
Synonyms
3-{[(3-methylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILES
CC1=CC(=CC=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC(=CC=C4)C(F)(F)F)C#N
Tpsa
36.68
Logp
7.1186
H Acceptors
3
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: C₂₅H₂₁F₃N₂S
Molecular Weight: 438.51
Synonyms: 3-{[(3-methylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILES: CC1=CC(=CC=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC(=CC=C4)C(F)(F)F)C#N
Tpsa: 36.68
Logp: 7.1186
H Acceptors: 3
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:
C₂₅H₂₁F₃N₂S
Molecular Weight:
438.51
Synonyms:
3-{[(3-methylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILES:
CC1=CC(=CC=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC(=CC=C4)C(F)(F)F)C#N
Tpsa:
36.68
Logp:
7.1186
H Acceptors:
3
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: C₁₁H₁₀N₂O₃S
Molecular Weight: 250.27
Synonyms: Methyl 2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanylacetate
SMILES: COC(=O)CSC1=NC=CC(=N1)C2=CC=CO2
Tpsa: 65.22
Logp: 2.0017
H Acceptors: 6
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:
C₁₁H₁₀N₂O₃S
Molecular Weight:
250.27
Synonyms:
Methyl 2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanylacetate
SMILES:
COC(=O)CSC1=NC=CC(=N1)C2=CC=CO2
Tpsa:
65.22
Logp:
2.0017
H Acceptors:
6
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: C₁₁H₁₁N₃S
Molecular Weight: 217.29
Synonyms: N-(6-METHYL-5-QUINOLINYL)THIOUREA
SMILES: CC1=C(C2=C(C=C1)N=CC=C2)NC(=S)N
Tpsa: 50.94
Logp: 2.19872
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:
C₁₁H₁₁N₃S
Molecular Weight:
217.29
Synonyms:
N-(6-METHYL-5-QUINOLINYL)THIOUREA
SMILES:
CC1=C(C2=C(C=C1)N=CC=C2)NC(=S)N
Tpsa:
50.94
Logp:
2.19872
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: C₁₅H₁₆O
Molecular Weight: 212.29
Synonyms: 4-(2,6-Dimethylphenyl)benzyl alcohol
SMILES: CC1=C(C2=CC=C(C=C2)CO)C(C)=CC=C1
Tpsa: 20.23
Logp: 3.46274
H Acceptors: 1
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:
C₁₅H₁₆O
Molecular Weight:
212.29
Synonyms:
4-(2,6-Dimethylphenyl)benzyl alcohol
SMILES:
CC1=C(C2=CC=C(C=C2)CO)C(C)=CC=C1
Tpsa:
20.23
Logp:
3.46274
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2