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

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

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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Img

ChemScene

CS-0116969

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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

Img

ChemScene

CS-0116971

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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

Img

ChemScene

CS-0116972

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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

Img

ChemScene

CS-0116973

--


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