(2-methylthiophen-3-yl) methylsulfanylformate

C7H8O2S2 — CID 59552954

IUPAC(2-methylthiophen-3-yl) methylsulfanylformate
SMILESCSC(=O)Oc1ccsc1C
InChIInChI=1S/C7H8O2S2/c1-5-6(3-4-11-5)9-7(8)10-2/h3-4H,1-2H3
InChIKeyZAVSALWOSUGKAQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.92
Rot. Bonds1

About (2-methylthiophen-3-yl) methylsulfanylformate

(2-methylthiophen-3-yl) methylsulfanylformate (PubChem CID 59552954) has the molecular formula C7H8O2S2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-methylthiophen-3-yl) methylsulfanylformate.

Molecular Properties

Compound Name(2-methylthiophen-3-yl) methylsulfanylformate
PubChem CID59552954
Molecular FormulaC7H8O2S2
Molecular Weight188.27 g/mol
Exact Mass188.00
IUPAC Name(2-methylthiophen-3-yl) methylsulfanylformate
SMILESCSC(=O)Oc1ccsc1C
InChIInChI=1S/C7H8O2S2/c1-5-6(3-4-11-5)9-7(8)10-2/h3-4H,1-2H3
InChIKeyZAVSALWOSUGKAQ-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methylthiophen-3-yl) methylsulfanylformate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl) methylsulfanylformate?
The IUPAC name of (2-methylthiophen-3-yl) methylsulfanylformate (CID 59552954) is (2-methylthiophen-3-yl) methylsulfanylformate.
What is the SMILES notation for (2-methylthiophen-3-yl) methylsulfanylformate?
The canonical SMILES for (2-methylthiophen-3-yl) methylsulfanylformate is CSC(=O)Oc1ccsc1C.
What is the InChIKey of (2-methylthiophen-3-yl) methylsulfanylformate?
The InChIKey is ZAVSALWOSUGKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S2/c1-5-6(3-4-11-5)9-7(8)10-2/h3-4H,1-2H3.
What are the key properties of (2-methylthiophen-3-yl) methylsulfanylformate?
(2-methylthiophen-3-yl) methylsulfanylformate has a molecular weight of 188.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl) methylsulfanylformate is sourced from PubChem (CID 59552954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).