CS-0071287
10-Methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4-thione
Manufacturer: ChemScene
CAS Number: 702655-69-4
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Purity
97%
MDL No
MFCD05027642
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₄N₂O₂S
Molecular Weight
250.32
Synonyms
None
SMILES
S=C(NC(C1=CC=C2)C3)NC3(C)OC1=C2OC
Tpsa
42.52
Logp
1.7127
H Acceptors
3
H Donors
2
Rotatable Bonds
1
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: MFCD05027642
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄N₂O₂S
Molecular Weight: 250.32
Synonyms: None
SMILES: S=C(NC(C1=CC=C2)C3)NC3(C)OC1=C2OC
Tpsa: 42.52
Logp: 1.7127
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD05027642
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄N₂O₂S
Molecular Weight:
250.32
Synonyms:
None
SMILES:
S=C(NC(C1=CC=C2)C3)NC3(C)OC1=C2OC
Tpsa:
42.52
Logp:
1.7127
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD01246375
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃NO₅S₂
Molecular Weight: 339.39
Synonyms: 3-[5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
SMILES: S=C(S/1)N(CCC(O)=O)C(C1=C\C2=CC=C(C(OC)=C2)O)=O
Tpsa: 87.07
Logp: 2.0767
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 5
Purity:
97%
MDL No:
MFCD01246375
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃NO₅S₂
Molecular Weight:
339.39
Synonyms:
3-[5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
SMILES:
S=C(S/1)N(CCC(O)=O)C(C1=C\C2=CC=C(C(OC)=C2)O)=O
Tpsa:
87.07
Logp:
2.0767
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5
Purity: 97%
MDL No: MFCD00242626
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇NO₂
Molecular Weight: 137.14
Synonyms: 5-Aminotropolone
SMILES: O=C(C=C1)C(O)=CC=C1N
Tpsa: 63.32
Logp: 0.3346
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00242626
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇NO₂
Molecular Weight:
137.14
Synonyms:
5-Aminotropolone
SMILES:
O=C(C=C1)C(O)=CC=C1N
Tpsa:
63.32
Logp:
0.3346
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: 2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid
SMILES: O=C(O)CC1=NOC2=CC=C(C)C=C12
Tpsa: 63.33
Logp: 1.76332
H Acceptors: 3
H Donors: 1
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
2-(5-methyl-1,2-benzoxazol-3-yl)acetic acid
SMILES:
O=C(O)CC1=NOC2=CC=C(C)C=C12
Tpsa:
63.33
Logp:
1.76332
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2