CS-1161999
1-(1-(Methylthio)-5,6,7,8-tetrahydroisoquinolin-3-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 184895-82-7
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₅NOS
Molecular Weight
221.32
Synonyms
None
SMILES
O=C(C1=NC(SC)=C2C(=C1)CCCC2)C
Tpsa
29.96
Logp
2.8849
H Acceptors
3
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 184895-82-7 | 1-(1-(Methylthio)-5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone | A2B Chem | -- |
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅NOS
Molecular Weight: 221.32
Synonyms: None
SMILES: O=C(C1=NC(SC)=C2C(=C1)CCCC2)C
Tpsa: 29.96
Logp: 2.8849
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NOS
Molecular Weight:
221.32
Synonyms:
None
SMILES:
O=C(C1=NC(SC)=C2C(=C1)CCCC2)C
Tpsa:
29.96
Logp:
2.8849
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: -20°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₈O₃
Molecular Weight: 410.59
Synonyms: Impurity A of Calcipotriol
SMILES: C[C@]1(CCC/2)C(C2=C\C=C3C[C@@H](O)C[C@H](O)C\3=C)CC[C@@H]1[C@H](C)/C=C/C(C4CC4)=O
Tpsa: 57.53
Logp: 5.2988
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
-20°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₈O₃
Molecular Weight:
410.59
Synonyms:
Impurity A of Calcipotriol
SMILES:
C[C@]1(CCC/2)C(C2=C\C=C3C[C@@H](O)C[C@H](O)C\3=C)CC[C@@H]1[C@H](C)/C=C/C(C4CC4)=O
Tpsa:
57.53
Logp:
5.2988
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅NO₅S
Molecular Weight: 203.17
Synonyms: None
SMILES: O=C(O)C=1N=C(C=CC1)S(=O)(=O)O
Tpsa: 104.56
Logp: 0.0265
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅NO₅S
Molecular Weight:
203.17
Synonyms:
None
SMILES:
O=C(O)C=1N=C(C=CC1)S(=O)(=O)O
Tpsa:
104.56
Logp:
0.0265
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: C₁₅H₂₁N₃O₄
Molecular Weight: 307.35
Synonyms: None
SMILES: N(C1=C(N(=O)=O)C=CC=C1)[C@@H]2CN(C(OC(C)(C)C)=O)CC2
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁N₃O₄
Molecular Weight:
307.35
Synonyms:
None
SMILES:
N(C1=C(N(=O)=O)C=CC=C1)[C@@H]2CN(C(OC(C)(C)C)=O)CC2
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A