3-(2-tritioethyl)thietane

C5H10S — CID 58271562

IUPAC3-(2-tritioethyl)thietane
SMILES[3H]CCC1CSC1
InChIInChI=1S/C5H10S/c1-2-5-3-6-4-5/h5H,2-4H2,1H3/i1T
InChIKeyYWCONSKQUWCRKV-CNRUNOGKSA-N
MW104.21 g/mol
LogP1.76
Rot. Bonds2

About 3-(2-tritioethyl)thietane

3-(2-tritioethyl)thietane (PubChem CID 58271562) has the molecular formula C5H10S and a molecular weight of 104.21 g/mol. Its IUPAC name is 3-(2-tritioethyl)thietane.

Molecular Properties

Compound Name3-(2-tritioethyl)thietane
PubChem CID58271562
Molecular FormulaC5H10S
Molecular Weight104.21 g/mol
Exact Mass104.06
IUPAC Name3-(2-tritioethyl)thietane
SMILES[3H]CCC1CSC1
InChIInChI=1S/C5H10S/c1-2-5-3-6-4-5/h5H,2-4H2,1H3/i1T
InChIKeyYWCONSKQUWCRKV-CNRUNOGKSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethylthietane;yttrium
CID 148944500
methanidyl(thietan-3-ylmethyl)azanium
CID 155624976
3-ethylthiepane
CID 58143173
3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine
CID 101075992
1-(thietan-3-ylmethyl)cyclopropan-1-ol
CID 84648985
3,5-bis(prop-2-ynyl)thiane
CID 152679151
3-(2,2-dimethylpropyl)thiolane
CID 58797584
thietan-3-yl-λ2-stannane
CID 173079136
1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol
CID 84650815
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
thiane-3,5-diamine
CID 156770129
ethane;3-thiabicyclo[3.1.0]hexane
CID 144739840

Frequently Asked Questions

What is the IUPAC name of 3-(2-tritioethyl)thietane?
The IUPAC name of 3-(2-tritioethyl)thietane (CID 58271562) is 3-(2-tritioethyl)thietane.
What is the SMILES notation for 3-(2-tritioethyl)thietane?
The canonical SMILES for 3-(2-tritioethyl)thietane is [3H]CCC1CSC1.
What is the InChIKey of 3-(2-tritioethyl)thietane?
The InChIKey is YWCONSKQUWCRKV-CNRUNOGKSA-N. The full InChI is InChI=1S/C5H10S/c1-2-5-3-6-4-5/h5H,2-4H2,1H3/i1T.
What are the key properties of 3-(2-tritioethyl)thietane?
3-(2-tritioethyl)thietane has a molecular weight of 104.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tritioethyl)thietane is sourced from PubChem (CID 58271562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).