CS-0116969
3-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
Manufacturer: ChemScene
CAS Number: 592537-76-3
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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
C₁₆H₁₃FN₂OS₂
Molecular Weight
332.42
Synonyms
None
SMILES
O=C1C(C2=C(CCCC2)S3)=C3N=C(S)N1C4=CC=C(F)C=C4
Tpsa
34.89
Logp
3.7538
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: C₁₆H₁₃FN₂OS₂
Molecular Weight: 332.42
Synonyms: None
SMILES: O=C1C(C2=C(CCCC2)S3)=C3N=C(S)N1C4=CC=C(F)C=C4
Tpsa: 34.89
Logp: 3.7538
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:
C₁₆H₁₃FN₂OS₂
Molecular Weight:
332.42
Synonyms:
None
SMILES:
O=C1C(C2=C(CCCC2)S3)=C3N=C(S)N1C4=CC=C(F)C=C4
Tpsa:
34.89
Logp:
3.7538
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: C₁₈H₁₈N₂O₂S₂
Molecular Weight: 358.48
Synonyms: 3-(4-ethoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: O=C1C(C2=C(CCCC2)S3)=C3N=C(S)N1C4=CC=C(OCC)C=C4
Tpsa: 44.12
Logp: 4.0134
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
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:
3-(4-ethoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES:
O=C1C(C2=C(CCCC2)S3)=C3N=C(S)N1C4=CC=C(OCC)C=C4
Tpsa:
44.12
Logp:
4.0134
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃N₃S
Molecular Weight: 219.31
Synonyms: 5-phenyl-4-propyl-4H-1,2,4-triazole-3-thiol
SMILES: CCCN1C(S)=NN=C1C2=CC=CC=C2
Tpsa: 30.71
Logp: 2.6438
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃N₃S
Molecular Weight:
219.31
Synonyms:
5-phenyl-4-propyl-4H-1,2,4-triazole-3-thiol
SMILES:
CCCN1C(S)=NN=C1C2=CC=CC=C2
Tpsa:
30.71
Logp:
2.6438
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃N₃OS
Molecular Weight: 283.35
Synonyms: 4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
SMILES: COC1=CC=C(N2C(S)=NN=C2C3=CC=CC=C3)C=C1
Tpsa: 39.94
Logp: 3.2316
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃N₃OS
Molecular Weight:
283.35
Synonyms:
4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
SMILES:
COC1=CC=C(N2C(S)=NN=C2C3=CC=CC=C3)C=C1
Tpsa:
39.94
Logp:
3.2316
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3