4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one

C11H10O4S — CID 21289554

IUPAC4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one
SMILESCOc1ccc(SCc2coc(=O)o2)cc1
InChIInChI=1S/C11H10O4S/c1-13-8-2-4-10(5-3-8)16-7-9-6-14-11(12)15-9/h2-6H,7H2,1H3
InChIKeyRHFSAYLDASTOEY-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.53
Rot. Bonds4

About 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one

4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one (PubChem CID 21289554) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one
PubChem CID21289554
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one
SMILESCOc1ccc(SCc2coc(=O)o2)cc1
InChIInChI=1S/C11H10O4S/c1-13-8-2-4-10(5-3-8)16-7-9-6-14-11(12)15-9/h2-6H,7H2,1H3
InChIKeyRHFSAYLDASTOEY-UHFFFAOYSA-N
XLogP2.53
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-5-[(4-methoxyphenyl)methoxy]pyran-4-one
CID 138542850
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
5-[(4-methoxyphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416939
5-[(4-methoxyphenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one
CID 53318735
3-chloro-2-[(4-methoxyphenyl)sulfanylmethyl]aniline
CID 63746464
[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
CID 91412865
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
(4R,5R)-4,5-bis[(4-methoxyphenyl)sulfanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 101186681
4-[(4-methoxyphenyl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 29317962
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
4,5,6,7-tetrafluoro-2-[(4-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazole
CID 54291377
4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 113471420

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one (CID 21289554) is 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one is COc1ccc(SCc2coc(=O)o2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one?
The InChIKey is RHFSAYLDASTOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-13-8-2-4-10(5-3-8)16-7-9-6-14-11(12)15-9/h2-6H,7H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one?
4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one has a molecular weight of 238.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one is sourced from PubChem (CID 21289554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).