thiolane

C4H8S — CID 1127

IUPACthiolane
SMILESC1CCSC1
InChIInChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
InChIKeyRAOIDOHSFRTOEL-UHFFFAOYSA-N
MW88.18 g/mol
LogP1.51
Rot. Bonds

About thiolane

thiolane (PubChem CID 1127) has the molecular formula C4H8S and a molecular weight of 88.18 g/mol. Its IUPAC name is thiolane.

Molecular Properties

Compound Namethiolane
PubChem CID1127
Molecular FormulaC4H8S
Molecular Weight88.18 g/mol
Exact Mass88.03
IUPAC Namethiolane
SMILESC1CCSC1
InChIInChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
InChIKeyRAOIDOHSFRTOEL-UHFFFAOYSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Propyl sulfide
CID 8118
Ethyl propyl sulfide
CID 20063
3,5-Diethyl-1,2,4-trithiolane
CID 520895
Butyl ethyl sulfide
CID 12528
2,5-Dimethyltetrahydrothiophene
CID 15247
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
2-Methyltetrahydrothiophene
CID 15711
Isopropyl propyl sulfide
CID 78708
2-(Ethylthio)butane
CID 521270
2-Tetrahydrothiophenethiol
CID 526191

Frequently Asked Questions

What is the IUPAC name of thiolane?
The IUPAC name of thiolane (CID 1127) is thiolane.
What is the SMILES notation for thiolane?
The canonical SMILES for thiolane is C1CCSC1.
What is the InChIKey of thiolane?
The InChIKey is RAOIDOHSFRTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2.
What are the key properties of thiolane?
thiolane has a molecular weight of 88.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane is sourced from PubChem (CID 1127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).