(2,5-dimethylthiophen-3-yl)methylsulfanyl formate

C8H10O2S2 — CID 121369342

IUPAC(2,5-dimethylthiophen-3-yl)methylsulfanyl formate
SMILESCc1cc(CSOC=O)c(C)s1
InChIInChI=1S/C8H10O2S2/c1-6-3-8(7(2)12-6)4-11-10-5-9/h3,5H,4H2,1-2H3
InChIKeyJEAQPAOPYVCWEW-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.69
Rot. Bonds4

About (2,5-dimethylthiophen-3-yl)methylsulfanyl formate

(2,5-dimethylthiophen-3-yl)methylsulfanyl formate (PubChem CID 121369342) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)methylsulfanyl formate.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)methylsulfanyl formate
PubChem CID121369342
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Name(2,5-dimethylthiophen-3-yl)methylsulfanyl formate
SMILESCc1cc(CSOC=O)c(C)s1
InChIInChI=1S/C8H10O2S2/c1-6-3-8(7(2)12-6)4-11-10-5-9/h3,5H,4H2,1-2H3
InChIKeyJEAQPAOPYVCWEW-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)methylsulfanyl formate?
The IUPAC name of (2,5-dimethylthiophen-3-yl)methylsulfanyl formate (CID 121369342) is (2,5-dimethylthiophen-3-yl)methylsulfanyl formate.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)methylsulfanyl formate?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)methylsulfanyl formate is Cc1cc(CSOC=O)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)methylsulfanyl formate?
The InChIKey is JEAQPAOPYVCWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-6-3-8(7(2)12-6)4-11-10-5-9/h3,5H,4H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)methylsulfanyl formate?
(2,5-dimethylthiophen-3-yl)methylsulfanyl formate has a molecular weight of 202.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)methylsulfanyl formate is sourced from PubChem (CID 121369342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).