2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol

C8H14N2OS2 — CID 164647888

IUPAC2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(SC2CCSC2)NC1
InChIInChI=1S/C8H14N2OS2/c11-6-3-9-8(10-4-6)13-7-1-2-12-5-7/h6-7,11H,1-5H2,(H,9,10)
InChIKeyDJVHPQGGGMTBHQ-UHFFFAOYSA-N
MW218.35 g/mol
LogP0.55
Rot. Bonds1

About 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol

2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 164647888) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID164647888
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(SC2CCSC2)NC1
InChIInChI=1S/C8H14N2OS2/c11-6-3-9-8(10-4-6)13-7-1-2-12-5-7/h6-7,11H,1-5H2,(H,9,10)
InChIKeyDJVHPQGGGMTBHQ-UHFFFAOYSA-N
XLogP0.55
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 164647888) is 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol is OC1CN=C(SC2CCSC2)NC1.
What is the InChIKey of 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is DJVHPQGGGMTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c11-6-3-9-8(10-4-6)13-7-1-2-12-5-7/h6-7,11H,1-5H2,(H,9,10).
What are the key properties of 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 218.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylsulfanyl)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 164647888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).