5-ethyl-1,3,5-dithiazinane;hydrochloride

C5H12ClNS2 — CID 44887074

IUPAC5-ethyl-1,3,5-dithiazinane;hydrochloride
SMILESCCN1CSCSC1.Cl
InChIInChI=1S/C5H11NS2.ClH/c1-2-6-3-7-5-8-4-6;/h2-5H2,1H3;1H
InChIKeyKINPSDKLKGNHBX-UHFFFAOYSA-N
MW185.74 g/mol
LogP2.08
Rot. Bonds1

About 5-ethyl-1,3,5-dithiazinane;hydrochloride

5-ethyl-1,3,5-dithiazinane;hydrochloride (PubChem CID 44887074) has the molecular formula C5H12ClNS2 and a molecular weight of 185.74 g/mol. Its IUPAC name is 5-ethyl-1,3,5-dithiazinane;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1,3,5-dithiazinane;hydrochloride
PubChem CID44887074
Molecular FormulaC5H12ClNS2
Molecular Weight185.74 g/mol
Exact Mass185.01
IUPAC Name5-ethyl-1,3,5-dithiazinane;hydrochloride
SMILESCCN1CSCSC1.Cl
InChIInChI=1S/C5H11NS2.ClH/c1-2-6-3-7-5-8-4-6;/h2-5H2,1H3;1H
InChIKeyKINPSDKLKGNHBX-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.74
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propyl-1,3,5-dithiazinane
CID 14867453
5-Propan-2-yl-1,3,5-dithiazinane
CID 3529636
5-Ethyl-1,3,5-dithiazinane
CID 2724694
5-Butyl-1,3,5-dithiazinane
CID 15253873

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,5-dithiazinane;hydrochloride?
The IUPAC name of 5-ethyl-1,3,5-dithiazinane;hydrochloride (CID 44887074) is 5-ethyl-1,3,5-dithiazinane;hydrochloride.
What is the SMILES notation for 5-ethyl-1,3,5-dithiazinane;hydrochloride?
The canonical SMILES for 5-ethyl-1,3,5-dithiazinane;hydrochloride is CCN1CSCSC1.Cl.
What is the InChIKey of 5-ethyl-1,3,5-dithiazinane;hydrochloride?
The InChIKey is KINPSDKLKGNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.ClH/c1-2-6-3-7-5-8-4-6;/h2-5H2,1H3;1H.
What are the key properties of 5-ethyl-1,3,5-dithiazinane;hydrochloride?
5-ethyl-1,3,5-dithiazinane;hydrochloride has a molecular weight of 185.74 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,5-dithiazinane;hydrochloride is sourced from PubChem (CID 44887074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).