1,4-dithiane;ethane;thiomorpholine

C10H23NS3 — CID 145202008

IUPAC1,4-dithiane;ethane;thiomorpholine
SMILESC1CSCCN1.C1CSCCS1.CC
InChIInChI=1S/C4H9NS.C4H8S2.C2H6/c1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2/h5H,1-4H2;1-4H2;1-2H3
InChIKeyAQJPSGDNLLHURQ-UHFFFAOYSA-N
MW253.50 g/mol
LogP2.82
Rot. Bonds

About 1,4-dithiane;ethane;thiomorpholine

1,4-dithiane;ethane;thiomorpholine (PubChem CID 145202008) has the molecular formula C10H23NS3 and a molecular weight of 253.50 g/mol. Its IUPAC name is 1,4-dithiane;ethane;thiomorpholine.

Molecular Properties

Compound Name1,4-dithiane;ethane;thiomorpholine
PubChem CID145202008
Molecular FormulaC10H23NS3
Molecular Weight253.50 g/mol
Exact Mass253.10
IUPAC Name1,4-dithiane;ethane;thiomorpholine
SMILESC1CSCCN1.C1CSCCS1.CC
InChIInChI=1S/C4H9NS.C4H8S2.C2H6/c1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2/h5H,1-4H2;1-4H2;1-2H3
InChIKeyAQJPSGDNLLHURQ-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithiane;ethane;thiomorpholine?
The IUPAC name of 1,4-dithiane;ethane;thiomorpholine (CID 145202008) is 1,4-dithiane;ethane;thiomorpholine.
What is the SMILES notation for 1,4-dithiane;ethane;thiomorpholine?
The canonical SMILES for 1,4-dithiane;ethane;thiomorpholine is C1CSCCN1.C1CSCCS1.CC.
What is the InChIKey of 1,4-dithiane;ethane;thiomorpholine?
The InChIKey is AQJPSGDNLLHURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.C4H8S2.C2H6/c1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2/h5H,1-4H2;1-4H2;1-2H3.
What are the key properties of 1,4-dithiane;ethane;thiomorpholine?
1,4-dithiane;ethane;thiomorpholine has a molecular weight of 253.50 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithiane;ethane;thiomorpholine is sourced from PubChem (CID 145202008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).