CS-0146494
tert-Butyl 2-(methylthio)-4-oxo-3,4,5,6,7,9-hexahydro-8H-pyrimido[4,5-c]azepine-8-carboxylate
Manufacturer: ChemScene
CAS Number: 2412424-99-6
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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
C₁₄H₂₁N₃O₃S
Molecular Weight
311.40
Synonyms
tert-butyl 4-hydroxy-2-methylsulfanyl-5,6,7,9-tetrahydropyrimido[4,5-c]azepine-8-carboxylate
SMILES
O=C(N1CC(N=C(SC)NC2=O)=C2CCC1)OC(C)(C)C
Tpsa
75.29
Logp
2.1751
H Acceptors
5
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2412424-99-6 | tert-Butyl 2-(methylthio)-4-oxo-3,4,5,6,7,9-hexahydro-8H-pyrimido[4,5-c]azepine-8-carboxylate | 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₁N₃O₃S
Molecular Weight: 311.40
Synonyms: tert-butyl 4-hydroxy-2-methylsulfanyl-5,6,7,9-tetrahydropyrimido[4,5-c]azepine-8-carboxylate
SMILES: O=C(N1CC(N=C(SC)NC2=O)=C2CCC1)OC(C)(C)C
Tpsa: 75.29
Logp: 2.1751
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₁N₃O₃S
Molecular Weight:
311.40
Synonyms:
tert-butyl 4-hydroxy-2-methylsulfanyl-5,6,7,9-tetrahydropyrimido[4,5-c]azepine-8-carboxylate
SMILES:
O=C(N1CC(N=C(SC)NC2=O)=C2CCC1)OC(C)(C)C
Tpsa:
75.29
Logp:
2.1751
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇N₃O₃S
Molecular Weight: 283.35
Synonyms: None
SMILES: O=C(N(C1)CCC(C(N2)=O)=C1NC2=S)OC(C)(C)C
Tpsa: 78.19
Logp: 1.72569
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₇N₃O₃S
Molecular Weight:
283.35
Synonyms:
None
SMILES:
O=C(N(C1)CCC(C(N2)=O)=C1NC2=S)OC(C)(C)C
Tpsa:
78.19
Logp:
1.72569
H Acceptors:
4
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: C₁₃H₁₉N₃O₃S
Molecular Weight: 297.37
Synonyms: None
SMILES: O=C(N(C1)CCC(N=C(SC)N2)=C1C2=O)OC(C)(C)C
Tpsa: 75.29
Logp: 1.785
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₃S
Molecular Weight:
297.37
Synonyms:
None
SMILES:
O=C(N(C1)CCC(N=C(SC)N2)=C1C2=O)OC(C)(C)C
Tpsa:
75.29
Logp:
1.785
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD30179611
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₃S
Molecular Weight: 297.37
Synonyms: tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
SMILES: O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C
Tpsa: 78.19
Logp: 1.76819
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD30179611
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₃S
Molecular Weight:
297.37
Synonyms:
tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
SMILES:
O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C
Tpsa:
78.19
Logp:
1.76819
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0