N,N-dimethyltrithian-5-amine;hydrochloride

C5H12ClNS3 — CID 13059873

IUPACN,N-dimethyltrithian-5-amine;hydrochloride
SMILESCN(C)C1CSSSC1.Cl
InChIInChI=1S/C5H11NS3.ClH/c1-6(2)5-3-7-9-8-4-5;/h5H,3-4H2,1-2H3;1H
InChIKeyDYLDNPYVDMQCFR-UHFFFAOYSA-N
MW217.81 g/mol
LogP2.38
Rot. Bonds1

About N,N-dimethyltrithian-5-amine;hydrochloride

N,N-dimethyltrithian-5-amine;hydrochloride (PubChem CID 13059873) has the molecular formula C5H12ClNS3 and a molecular weight of 217.81 g/mol. Its IUPAC name is N,N-dimethyltrithian-5-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyltrithian-5-amine;hydrochloride
PubChem CID13059873
Molecular FormulaC5H12ClNS3
Molecular Weight217.81 g/mol
Exact Mass216.98
IUPAC NameN,N-dimethyltrithian-5-amine;hydrochloride
SMILESCN(C)C1CSSSC1.Cl
InChIInChI=1S/C5H11NS3.ClH/c1-6(2)5-3-7-9-8-4-5;/h5H,3-4H2,1-2H3;1H
InChIKeyDYLDNPYVDMQCFR-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.81
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyltrithian-5-amine;hydrochloride?
The IUPAC name of N,N-dimethyltrithian-5-amine;hydrochloride (CID 13059873) is N,N-dimethyltrithian-5-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyltrithian-5-amine;hydrochloride?
The canonical SMILES for N,N-dimethyltrithian-5-amine;hydrochloride is CN(C)C1CSSSC1.Cl.
What is the InChIKey of N,N-dimethyltrithian-5-amine;hydrochloride?
The InChIKey is DYLDNPYVDMQCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS3.ClH/c1-6(2)5-3-7-9-8-4-5;/h5H,3-4H2,1-2H3;1H.
What are the key properties of N,N-dimethyltrithian-5-amine;hydrochloride?
N,N-dimethyltrithian-5-amine;hydrochloride has a molecular weight of 217.81 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltrithian-5-amine;hydrochloride is sourced from PubChem (CID 13059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).