CS-1000757
10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(4-piperidinylidene)-, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 1227458-03-8
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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
C₁₈H₁₈ClNOS
Molecular Weight
331.86
Synonyms
None
SMILES
Cl.O=C1C=2SC=CC2C(C=3C=CC=CC3C1)=C4CCNCC4
Tpsa
29.1
Logp
4.094
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈ClNOS
Molecular Weight: 331.86
Synonyms: None
SMILES: Cl.O=C1C=2SC=CC2C(C=3C=CC=CC3C1)=C4CCNCC4
Tpsa: 29.1
Logp: 4.094
H Acceptors: 3
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:
C₁₈H₁₈ClNOS
Molecular Weight:
331.86
Synonyms:
None
SMILES:
Cl.O=C1C=2SC=CC2C(C=3C=CC=CC3C1)=C4CCNCC4
Tpsa:
29.1
Logp:
4.094
H Acceptors:
3
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: C₁₂H₁₄N₂O₂
Molecular Weight: 218.25
Synonyms: None
SMILES: C(/C=C/N(C)C)(=O)C1=CC(NC=O)=CC=C1
Tpsa: 49.41
Logp: 1.5129
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₄N₂O₂
Molecular Weight:
218.25
Synonyms:
None
SMILES:
C(/C=C/N(C)C)(=O)C1=CC(NC=O)=CC=C1
Tpsa:
49.41
Logp:
1.5129
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₈N₂O₂
Molecular Weight: 246.30
Synonyms: None
SMILES: N(CC)(C=O)C1=CC(C(/C=C/N(C)C)=O)=CC=C1
Tpsa: 40.62
Logp: 1.9273
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈N₂O₂
Molecular Weight:
246.30
Synonyms:
None
SMILES:
N(CC)(C=O)C1=CC(C(/C=C/N(C)C)=O)=CC=C1
Tpsa:
40.62
Logp:
1.9273
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₈BrClN₂O
Molecular Weight: 559.92
Synonyms: None
SMILES: [C@@H]([C@@](CCN(C)C)(O)C=1C2=C(C=CC1)C=CC=C2)(C3=CC4=C(N=C3Cl)C=CC(Br)=C4)C5=CC=CC=C5
Tpsa: 36.36
Logp: 7.7753
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₈BrClN₂O
Molecular Weight:
559.92
Synonyms:
None
SMILES:
[C@@H]([C@@](CCN(C)C)(O)C=1C2=C(C=CC1)C=CC=C2)(C3=CC4=C(N=C3Cl)C=CC(Br)=C4)C5=CC=CC=C5
Tpsa:
36.36
Logp:
7.7753
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7