(4-fluoro-2-methylphenyl) propanedithioate

C10H11FS2 — CID 129075399

IUPAC(4-fluoro-2-methylphenyl) propanedithioate
SMILESCCC(=S)Sc1ccc(F)cc1C
InChIInChI=1S/C10H11FS2/c1-3-10(12)13-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
InChIKeyOIGGUFQSTJBVMY-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.96
Rot. Bonds2

About (4-fluoro-2-methylphenyl) propanedithioate

(4-fluoro-2-methylphenyl) propanedithioate (PubChem CID 129075399) has the molecular formula C10H11FS2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl) propanedithioate.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl) propanedithioate
PubChem CID129075399
Molecular FormulaC10H11FS2
Molecular Weight214.33 g/mol
Exact Mass214.03
IUPAC Name(4-fluoro-2-methylphenyl) propanedithioate
SMILESCCC(=S)Sc1ccc(F)cc1C
InChIInChI=1S/C10H11FS2/c1-3-10(12)13-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
InChIKeyOIGGUFQSTJBVMY-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
CID 146649535
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
(4-fluoro-2-methylphenyl)sulfanylmethanamine
CID 117032403
2-(4-fluoro-2-methylphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035470
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
CID 175022651
N-(4-fluoro-2-methylphenyl)propanimidoyl bromide
CID 154643488
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994107
3-(4-fluoro-2-methylphenyl)sulfanylbutan-1-amine
CID 117032656
(4-fluoro-2-methylphenyl)thiourea
CID 28888222

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl) propanedithioate?
The IUPAC name of (4-fluoro-2-methylphenyl) propanedithioate (CID 129075399) is (4-fluoro-2-methylphenyl) propanedithioate.
What is the SMILES notation for (4-fluoro-2-methylphenyl) propanedithioate?
The canonical SMILES for (4-fluoro-2-methylphenyl) propanedithioate is CCC(=S)Sc1ccc(F)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl) propanedithioate?
The InChIKey is OIGGUFQSTJBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS2/c1-3-10(12)13-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl) propanedithioate?
(4-fluoro-2-methylphenyl) propanedithioate has a molecular weight of 214.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl) propanedithioate is sourced from PubChem (CID 129075399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).