CS-0127828
5-(Benzylthio)-2,3-dihydro-1H-inden-1-one
Manufacturer: ChemScene
CAS Number: 132630-11-6
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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
C₁₆H₁₄OS
Molecular Weight
254.35
Synonyms
5-benzylthio-1-indanone
SMILES
O=C1CCC2=C1C=CC(SCC3=CC=CC=C3)=C2
Tpsa
17.07
Logp
4.1078
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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: C₁₆H₁₄OS
Molecular Weight: 254.35
Synonyms: 5-benzylthio-1-indanone
SMILES: O=C1CCC2=C1C=CC(SCC3=CC=CC=C3)=C2
Tpsa: 17.07
Logp: 4.1078
H Acceptors: 2
H Donors: 0
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:
C₁₆H₁₄OS
Molecular Weight:
254.35
Synonyms:
5-benzylthio-1-indanone
SMILES:
O=C1CCC2=C1C=CC(SCC3=CC=CC=C3)=C2
Tpsa:
17.07
Logp:
4.1078
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD07374985
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BFO₄
Molecular Weight: 197.96
Synonyms: 2-Fluoro-3-(methoxycarbonyl)phenylboronic acid
SMILES: OB(C1=CC=CC(C(OC)=O)=C1F)O
Tpsa: 66.76
Logp: -0.7079
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD07374985
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BFO₄
Molecular Weight:
197.96
Synonyms:
2-Fluoro-3-(methoxycarbonyl)phenylboronic acid
SMILES:
OB(C1=CC=CC(C(OC)=O)=C1F)O
Tpsa:
66.76
Logp:
-0.7079
H Acceptors:
4
H Donors:
2
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: C₁₇H₂₆N₂O₂
Molecular Weight: 290.40
Synonyms: 1-Piperidinecarboxylic acid, 4-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester
SMILES: NCC1=CC=CC(C2CCN(C(OC(C)(C)C)=O)CC2)=C1
Tpsa: 55.56
Logp: 3.2598
H Acceptors: 3
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:
C₁₇H₂₆N₂O₂
Molecular Weight:
290.40
Synonyms:
1-Piperidinecarboxylic acid, 4-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester
SMILES:
NCC1=CC=CC(C2CCN(C(OC(C)(C)C)=O)CC2)=C1
Tpsa:
55.56
Logp:
3.2598
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: MFCD24620878
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅ClN₄O
Molecular Weight: 184.58
Synonyms: None
SMILES: CN1C(NC2=NC(Cl)=NC=C12)=O
Tpsa: 63.57
Logp: 0.31
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
95%
MDL No:
MFCD24620878
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅ClN₄O
Molecular Weight:
184.58
Synonyms:
None
SMILES:
CN1C(NC2=NC(Cl)=NC=C12)=O
Tpsa:
63.57
Logp:
0.31
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0