1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane

C5H11Cl2N3S — CID 19598910

IUPAC1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane
SMILESCCSN1CN(Cl)CN(Cl)C1
InChIInChI=1S/C5H11Cl2N3S/c1-2-11-10-4-8(6)3-9(7)5-10/h2-5H2,1H3
InChIKeyLHIAGXPCTVYINJ-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.75
Rot. Bonds2

About 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane

1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane (PubChem CID 19598910) has the molecular formula C5H11Cl2N3S and a molecular weight of 216.14 g/mol. Its IUPAC name is 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane.

Molecular Properties

Compound Name1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane
PubChem CID19598910
Molecular FormulaC5H11Cl2N3S
Molecular Weight216.14 g/mol
Exact Mass215.01
IUPAC Name1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane
SMILESCCSN1CN(Cl)CN(Cl)C1
InChIInChI=1S/C5H11Cl2N3S/c1-2-11-10-4-8(6)3-9(7)5-10/h2-5H2,1H3
InChIKeyLHIAGXPCTVYINJ-UHFFFAOYSA-N
XLogP1.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane?
The IUPAC name of 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane (CID 19598910) is 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane.
What is the SMILES notation for 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane?
The canonical SMILES for 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane is CCSN1CN(Cl)CN(Cl)C1.
What is the InChIKey of 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane?
The InChIKey is LHIAGXPCTVYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N3S/c1-2-11-10-4-8(6)3-9(7)5-10/h2-5H2,1H3.
What are the key properties of 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane?
1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane has a molecular weight of 216.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-ethylsulfanyl-1,3,5-triazinane is sourced from PubChem (CID 19598910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).