2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane

C6H10S3 — CID 18760614

IUPAC2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane
SMILESCC1SC1SC1SC1C
InChIInChI=1S/C6H10S3/c1-3-5(7-3)9-6-4(2)8-6/h3-6H,1-2H3
InChIKeyDXNAKHSYGOEAGV-UHFFFAOYSA-N
MW178.35 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane

2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane (PubChem CID 18760614) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane.

Molecular Properties

Compound Name2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane
PubChem CID18760614
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Name2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane
SMILESCC1SC1SC1SC1C
InChIInChI=1S/C6H10S3/c1-3-5(7-3)9-6-4(2)8-6/h3-6H,1-2H3
InChIKeyDXNAKHSYGOEAGV-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane?
The IUPAC name of 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane (CID 18760614) is 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane.
What is the SMILES notation for 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane?
The canonical SMILES for 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane is CC1SC1SC1SC1C.
What is the InChIKey of 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane?
The InChIKey is DXNAKHSYGOEAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S3/c1-3-5(7-3)9-6-4(2)8-6/h3-6H,1-2H3.
What are the key properties of 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane?
2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane has a molecular weight of 178.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane is sourced from PubChem (CID 18760614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).