(4-methylphenoxy)-propoxymethanethione

C11H14O2S — CID 14022571

IUPAC(4-methylphenoxy)-propoxymethanethione
SMILESCCCOC(=S)Oc1ccc(C)cc1
InChIInChI=1S/C11H14O2S/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyPFTMYPOJTVBNTA-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.09
Rot. Bonds3

About (4-methylphenoxy)-propoxymethanethione

(4-methylphenoxy)-propoxymethanethione (PubChem CID 14022571) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is (4-methylphenoxy)-propoxymethanethione.

Molecular Properties

Compound Name(4-methylphenoxy)-propoxymethanethione
PubChem CID14022571
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name(4-methylphenoxy)-propoxymethanethione
SMILESCCCOC(=S)Oc1ccc(C)cc1
InChIInChI=1S/C11H14O2S/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyPFTMYPOJTVBNTA-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methylnaphthalen-2-yl) propyl carbonate
CID 58232642
O-butyl [butoxycarbothioylsulfanyl-(4-methylphenyl)methyl]sulfanylmethanethioate
CID 87236422
(6-methylnaphthalen-2-yl) propyl carbonate;propane
CID 123704980
3-(4-methylphenoxy)pentanethioamide
CID 43368539
[4-[(4-methylphenoxy)carbothioyloxymethyl]phenoxy]methyl 2,2-dimethylpropanoate
CID 161088397
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
2-(4-methylphenoxy)ethanethioamide
CID 7745454
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
(4-methylphenyl) 4-butoxybenzoate
CID 23011518
O-ethyl 4-propoxybenzenecarbothioate
CID 131848958
4-methylphenol;propyl propanoate
CID 174290139
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633

Frequently Asked Questions

What is the IUPAC name of (4-methylphenoxy)-propoxymethanethione?
The IUPAC name of (4-methylphenoxy)-propoxymethanethione (CID 14022571) is (4-methylphenoxy)-propoxymethanethione.
What is the SMILES notation for (4-methylphenoxy)-propoxymethanethione?
The canonical SMILES for (4-methylphenoxy)-propoxymethanethione is CCCOC(=S)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenoxy)-propoxymethanethione?
The InChIKey is PFTMYPOJTVBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of (4-methylphenoxy)-propoxymethanethione?
(4-methylphenoxy)-propoxymethanethione has a molecular weight of 210.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenoxy)-propoxymethanethione is sourced from PubChem (CID 14022571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).