2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide

C7H10OS3 — CID 150079382

IUPAC2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide
SMILESCC1SC1C1SC1C1CS1=O
InChIInChI=1S/C7H10OS3/c1-3-5(9-3)7-6(10-7)4-2-11(4)8/h3-7H,2H2,1H3
InChIKeyDQYDKIMKLXRUNJ-UHFFFAOYSA-N
MW206.36 g/mol
LogP1.11
Rot. Bonds2

About 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide

2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide (PubChem CID 150079382) has the molecular formula C7H10OS3 and a molecular weight of 206.36 g/mol. Its IUPAC name is 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide
PubChem CID150079382
Molecular FormulaC7H10OS3
Molecular Weight206.36 g/mol
Exact Mass205.99
IUPAC Name2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide
SMILESCC1SC1C1SC1C1CS1=O
InChIInChI=1S/C7H10OS3/c1-3-5(9-3)7-6(10-7)4-2-11(4)8/h3-7H,2H2,1H3
InChIKeyDQYDKIMKLXRUNJ-UHFFFAOYSA-N
XLogP1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 51.11
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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Related Compounds

2-Methyl-3-[(3-methylthiiran-2-yl)methyl]thiirane
CID 17781141
2-Methyl-3-[2-(thiiran-2-yl)ethyl]thiirane
CID 22238738
2-Pentylthiirane 1-oxide
CID 88326759
2,3-Diethylthiirane 1-oxide
CID 89048110
2-(Thiiran-2-ylmethyl)thiirane 1-oxide
CID 150057657
2-[2-(Thiiran-2-yl)ethyl]thiirane 1-oxide
CID 150085513
2-[[3-(Thiiran-2-yl)thiiran-2-yl]methyl]thiirane 1-oxide
CID 150402232
2-[(3-Methylthiiran-2-yl)methyl]thiirane 1-oxide
CID 150681285
2-(3-Methylthiiran-2-yl)thiirane 1-oxide
CID 150711164
2-[3-(Thiiran-2-ylmethyl)thiiran-2-yl]thiirane 1-oxide
CID 151266161
2-(3-Propylthiiran-2-yl)thiirane 1-oxide
CID 151331835
2-[(3-Ethylthiiran-2-yl)methyl]thiirane 1-oxide
CID 151408449

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide?
The IUPAC name of 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide (CID 150079382) is 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide.
What is the SMILES notation for 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide?
The canonical SMILES for 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide is CC1SC1C1SC1C1CS1=O.
What is the InChIKey of 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide?
The InChIKey is DQYDKIMKLXRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS3/c1-3-5(9-3)7-6(10-7)4-2-11(4)8/h3-7H,2H2,1H3.
What are the key properties of 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide?
2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide has a molecular weight of 206.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide is sourced from PubChem (CID 150079382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).