CS-0348510
3-(2,4-Dimethylphenyl)-2-mercapto-3,5,6,7,8,9-hexahydro-4h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Manufacturer: ChemScene
CAS Number: 519150-63-1
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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
C₁₉H₂₀N₂OS₂
Molecular Weight
356.50
Synonyms
4-(2,4-dimethylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,?]tetradeca-1(9),2(7)-dien-3-one
SMILES
O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=C(C)C=C4C
Tpsa
34.89
Logp
4.62164
H Acceptors
5
H Donors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₀N₂OS₂
Molecular Weight: 356.50
Synonyms: 4-(2,4-dimethylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,?]tetradeca-1(9),2(7)-dien-3-one
SMILES: O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=C(C)C=C4C
Tpsa: 34.89
Logp: 4.62164
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:
C₁₉H₂₀N₂OS₂
Molecular Weight:
356.50
Synonyms:
4-(2,4-dimethylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,?]tetradeca-1(9),2(7)-dien-3-one
SMILES:
O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=C(C)C=C4C
Tpsa:
34.89
Logp:
4.62164
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈N₂O₂S₂
Molecular Weight: 358.48
Synonyms: None
SMILES: O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=C(OC)C=C4
Tpsa: 44.12
Logp: 4.0134
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₈N₂O₂S₂
Molecular Weight:
358.48
Synonyms:
None
SMILES:
O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=C(OC)C=C4
Tpsa:
44.12
Logp:
4.0134
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅F₃N₂OS₂
Molecular Weight: 396.45
Synonyms: None
SMILES: O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=CC=C4C(F)(F)F
Tpsa: 34.89
Logp: 5.0236
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅F₃N₂OS₂
Molecular Weight:
396.45
Synonyms:
None
SMILES:
O=C1C(C2=C(CCCCC2)S3)=C3N=C(S)N1C4=CC=CC=C4C(F)(F)F
Tpsa:
34.89
Logp:
5.0236
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₄ClFO₃
Molecular Weight: 332.75
Synonyms: None
SMILES: O=C1C(C2=C(F)C=CC=C2Cl)=C(C)OC3=C1C=C(CC)C(O)=C3
Tpsa: 50.44
Logp: 4.82892
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₄ClFO₃
Molecular Weight:
332.75
Synonyms:
None
SMILES:
O=C1C(C2=C(F)C=CC=C2Cl)=C(C)OC3=C1C=C(CC)C(O)=C3
Tpsa:
50.44
Logp:
4.82892
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2