[3-(sulfanylmethoxy)phenoxy]methanethiol

C8H10O2S2 — CID 22238691

IUPAC[3-(sulfanylmethoxy)phenoxy]methanethiol
SMILESSCOc1cccc(OCS)c1
InChIInChI=1S/C8H10O2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4,11-12H,5-6H2
InChIKeyWWYGZBJGLPHDOT-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.22
Rot. Bonds4

About [3-(sulfanylmethoxy)phenoxy]methanethiol

[3-(sulfanylmethoxy)phenoxy]methanethiol (PubChem CID 22238691) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [3-(sulfanylmethoxy)phenoxy]methanethiol.

Molecular Properties

Compound Name[3-(sulfanylmethoxy)phenoxy]methanethiol
PubChem CID22238691
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Name[3-(sulfanylmethoxy)phenoxy]methanethiol
SMILESSCOc1cccc(OCS)c1
InChIInChI=1S/C8H10O2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4,11-12H,5-6H2
InChIKeyWWYGZBJGLPHDOT-UHFFFAOYSA-N
XLogP2.22
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [3-(sulfanylmethoxy)phenoxy]methanethiol 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

[3,5-bis(sulfanylmethoxy)phenoxy]methanethiol
CID 22937550
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
(3-ethoxyphenyl)methanethiol
CID 79885244
2-(3-fluorophenoxy)ethanethiol
CID 79002331
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
1,3-dihexadecoxybenzene
CID 12686834
(3-methoxyphenoxy)methanol
CID 10442564
1,3-bis(10-bromodecoxy)benzene
CID 11800753
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236

Frequently Asked Questions

What is the IUPAC name of [3-(sulfanylmethoxy)phenoxy]methanethiol?
The IUPAC name of [3-(sulfanylmethoxy)phenoxy]methanethiol (CID 22238691) is [3-(sulfanylmethoxy)phenoxy]methanethiol.
What is the SMILES notation for [3-(sulfanylmethoxy)phenoxy]methanethiol?
The canonical SMILES for [3-(sulfanylmethoxy)phenoxy]methanethiol is SCOc1cccc(OCS)c1.
What is the InChIKey of [3-(sulfanylmethoxy)phenoxy]methanethiol?
The InChIKey is WWYGZBJGLPHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4,11-12H,5-6H2.
What are the key properties of [3-(sulfanylmethoxy)phenoxy]methanethiol?
[3-(sulfanylmethoxy)phenoxy]methanethiol has a molecular weight of 202.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(sulfanylmethoxy)phenoxy]methanethiol is sourced from PubChem (CID 22238691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).