CS-0589512
3-(4-Chlorobenzoyl)-4,4-bis(methylthio)but-3-enenitrile
Manufacturer: ChemScene
CAS Number: 77147-93-4
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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
C₁₃H₁₂ClNOS₂
Molecular Weight
297.82
Synonyms
3-(4-chlorobenzoyl)-4,4-bis(methylsulfanyl)but-3-enenitrile
SMILES
N#CCC(C(C1=CC=C(Cl)C=C1)=O)=C(SC)SC
Tpsa
40.86
Logp
4.37398
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂ClNOS₂
Molecular Weight: 297.82
Synonyms: 3-(4-chlorobenzoyl)-4,4-bis(methylsulfanyl)but-3-enenitrile
SMILES: N#CCC(C(C1=CC=C(Cl)C=C1)=O)=C(SC)SC
Tpsa: 40.86
Logp: 4.37398
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:
C₁₃H₁₂ClNOS₂
Molecular Weight:
297.82
Synonyms:
3-(4-chlorobenzoyl)-4,4-bis(methylsulfanyl)but-3-enenitrile
SMILES:
N#CCC(C(C1=CC=C(Cl)C=C1)=O)=C(SC)SC
Tpsa:
40.86
Logp:
4.37398
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: C₁₀H₁₀N₂
Molecular Weight: 158.20
Synonyms: 8-Methyl-6-quinolinamine
SMILES: CC1=CC(=CC2=C1N=CC=C2)N
Tpsa: 38.91
Logp: 2.12542
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₂
Molecular Weight:
158.20
Synonyms:
8-Methyl-6-quinolinamine
SMILES:
CC1=CC(=CC2=C1N=CC=C2)N
Tpsa:
38.91
Logp:
2.12542
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₅
Molecular Weight: 237.21
Synonyms: None
SMILES: CC(=O)COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Tpsa: 86.51
Logp: 1.2695
H Acceptors: 5
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:
C₁₁H₁₁NO₅
Molecular Weight:
237.21
Synonyms:
None
SMILES:
CC(=O)COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Tpsa:
86.51
Logp:
1.2695
H Acceptors:
5
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: C₁₆H₁₆F₃NO
Molecular Weight: 295.30
Synonyms: None
SMILES: FC(F)(F)C1=CC(=CC(=C1)C=2C=CC=CC2O)NC(C)C
Tpsa: 32.26
Logp: 4.8983
H Acceptors: 2
H Donors: 2
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:
C₁₆H₁₆F₃NO
Molecular Weight:
295.30
Synonyms:
None
SMILES:
FC(F)(F)C1=CC(=CC(=C1)C=2C=CC=CC2O)NC(C)C
Tpsa:
32.26
Logp:
4.8983
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3