thiane

C5H10S — CID 15367

IUPACthiane
SMILESC1CCSCC1
InChIInChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
InChIKeyYPWFISCTZQNZAU-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.90
Rot. Bonds

About thiane

thiane (PubChem CID 15367) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is thiane.

Molecular Properties

Compound Namethiane
PubChem CID15367
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Namethiane
SMILESC1CCSCC1
InChIInChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
InChIKeyYPWFISCTZQNZAU-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethyl-1,4-dithiane
CID 51520
2-Methylthiane
CID 51758
2-Ethylthiacyclohexane
CID 519221
2,4,6-Trimethyl-1,3-dithiane
CID 303711
4-Iodothiane
CID 18525911
2-Fluorothiane
CID 102251672
1,4-Dithiane, methyl
CID 524173
2H-Thiopyranium, tetrahydro-1-methyl-
CID 417894
Cis-2,6-dimethyl-thiacyclohexane
CID 6428521
2,6-Dimethylthiane
CID 13551188
1-Iminothiane
CID 12279914
Mercaptothiane
CID 12335998

Frequently Asked Questions

What is the IUPAC name of thiane?
The IUPAC name of thiane (CID 15367) is thiane.
What is the SMILES notation for thiane?
The canonical SMILES for thiane is C1CCSCC1.
What is the InChIKey of thiane?
The InChIKey is YPWFISCTZQNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2.
What are the key properties of thiane?
thiane has a molecular weight of 102.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiane is sourced from PubChem (CID 15367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).