CS-0146495
tert-Butyl 4-oxo-2-thioxo-2,3,4,5,6,8-hexahydropyrido[3,4-d]pyrimidine-7(1H)-carboxylate
Manufacturer: ChemScene
CAS Number: 2383244-62-8
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇N₃O₃S
Molecular Weight: 331.39
Synonyms: Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-2-(methylthio)-4-oxo-, phenylmethyl ester
SMILES: O=C(N(C1)CCC2=C1N=C(SC)NC2=O)OCC3=CC=CC=C3
Tpsa: 75.29
Logp: 2.1867
H Acceptors: 5
H Donors: 1
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:
C₁₆H₁₇N₃O₃S
Molecular Weight:
331.39
Synonyms:
Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-2-(methylthio)-4-oxo-, phenylmethyl ester
SMILES:
O=C(N(C1)CCC2=C1N=C(SC)NC2=O)OCC3=CC=CC=C3
Tpsa:
75.29
Logp:
2.1867
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3