1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one

C14H14OS2 — CID 65142383

IUPAC1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CSc1ccccc1
InChIInChI=1S/C14H14OS2/c15-12(8-9-14-7-4-10-16-14)11-17-13-5-2-1-3-6-13/h1-7,10H,8-9,11H2
InChIKeyHIQRXHAVPOATSN-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.04
Rot. Bonds6

About 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one

1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one (PubChem CID 65142383) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
PubChem CID65142383
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CSc1ccccc1
InChIInChI=1S/C14H14OS2/c15-12(8-9-14-7-4-10-16-14)11-17-13-5-2-1-3-6-13/h1-7,10H,8-9,11H2
InChIKeyHIQRXHAVPOATSN-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
CID 66053237
1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
CID 66144425
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
4-phenyl-1-thiophen-2-ylbutan-2-one
CID 61054077
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
CID 66145989
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
CID 116549524

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one (CID 65142383) is 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one is O=C(CCc1cccs1)CSc1ccccc1.
What is the InChIKey of 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one?
The InChIKey is HIQRXHAVPOATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c15-12(8-9-14-7-4-10-16-14)11-17-13-5-2-1-3-6-13/h1-7,10H,8-9,11H2.
What are the key properties of 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one?
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one has a molecular weight of 262.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 65142383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).