1,3-bis(prop-1-enylsulfinyl)benzene

C12H14O2S2 — CID 139841368

IUPAC1,3-bis(prop-1-enylsulfinyl)benzene
SMILESCC=CS(=O)c1cccc(S(=O)C=CC)c1
InChIInChI=1S/C12H14O2S2/c1-3-8-15(13)11-6-5-7-12(10-11)16(14)9-4-2/h3-10H,1-2H3
InChIKeyQXLVWYHGCHLUHE-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.97
Rot. Bonds4

About 1,3-bis(prop-1-enylsulfinyl)benzene

1,3-bis(prop-1-enylsulfinyl)benzene (PubChem CID 139841368) has the molecular formula C12H14O2S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1,3-bis(prop-1-enylsulfinyl)benzene.

Molecular Properties

Compound Name1,3-bis(prop-1-enylsulfinyl)benzene
PubChem CID139841368
Molecular FormulaC12H14O2S2
Molecular Weight254.38 g/mol
Exact Mass254.04
IUPAC Name1,3-bis(prop-1-enylsulfinyl)benzene
SMILESCC=CS(=O)c1cccc(S(=O)C=CC)c1
InChIInChI=1S/C12H14O2S2/c1-3-8-15(13)11-6-5-7-12(10-11)16(14)9-4-2/h3-10H,1-2H3
InChIKeyQXLVWYHGCHLUHE-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3-(3-methoxyphenyl)sulfinylprop-2-enoate
CID 106435975
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
CID 819537
1-methylsulfinyl-3-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 143385474
3-(3-aminophenyl)sulfinylsulfinylaniline
CID 102249291
[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
CID 134889626
methyl (E)-3-(benzenesulfinyl)prop-2-enoate
CID 11095882
[(Z)-hex-1-enyl]sulfinylbenzene
CID 11275798
4-(benzenesulfinyl)buta-1,3-dienylbenzene
CID 72756067
benzenesulfinylformaldehyde
CID 174391009
1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene
CID 819544
non-1-enylsulfinylbenzene
CID 71319651
methyl (E)-3-(3,4-dichlorophenyl)sulfinylprop-2-enoate
CID 106436088

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-enylsulfinyl)benzene?
The IUPAC name of 1,3-bis(prop-1-enylsulfinyl)benzene (CID 139841368) is 1,3-bis(prop-1-enylsulfinyl)benzene.
What is the SMILES notation for 1,3-bis(prop-1-enylsulfinyl)benzene?
The canonical SMILES for 1,3-bis(prop-1-enylsulfinyl)benzene is CC=CS(=O)c1cccc(S(=O)C=CC)c1.
What is the InChIKey of 1,3-bis(prop-1-enylsulfinyl)benzene?
The InChIKey is QXLVWYHGCHLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S2/c1-3-8-15(13)11-6-5-7-12(10-11)16(14)9-4-2/h3-10H,1-2H3.
What are the key properties of 1,3-bis(prop-1-enylsulfinyl)benzene?
1,3-bis(prop-1-enylsulfinyl)benzene has a molecular weight of 254.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-enylsulfinyl)benzene is sourced from PubChem (CID 139841368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).