5-ethyl-1,3,5-triazinane-2-thione

C5H11N3S — CID 736590

IUPAC5-ethyl-1,3,5-triazinane-2-thione
SMILESCCN1CNC(=S)NC1
InChIInChI=1S/C5H11N3S/c1-2-8-3-6-5(9)7-4-8/h2-4H2,1H3,(H2,6,7,9)
InChIKeyBXHMBJHMQYKQQA-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.30
Rot. Bonds1

About 5-ethyl-1,3,5-triazinane-2-thione

5-ethyl-1,3,5-triazinane-2-thione (PubChem CID 736590) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-ethyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-ethyl-1,3,5-triazinane-2-thione
PubChem CID736590
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name5-ethyl-1,3,5-triazinane-2-thione
SMILESCCN1CNC(=S)NC1
InChIInChI=1S/C5H11N3S/c1-2-8-3-6-5(9)7-4-8/h2-4H2,1H3,(H2,6,7,9)
InChIKeyBXHMBJHMQYKQQA-UHFFFAOYSA-N
XLogP-0.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Diethylthiourea
CID 2735009
2(1H)-Pyrimidinethione, tetrahydro-1-methyl-
CID 3034347
1,3,5-Triazine-2(1H)-thione, 5-butyltetrahydro-
CID 3034134
5-Tert-butyl-1,3,5-triazinane-2-thione
CID 2806856
N,4-dimethylpiperazine-1-carbothioamide
CID 859055
Thiourea, N'-ethyl-N,N-dimethyl-
CID 3034261
5-Propyl-1,3,5-triazinane-2-thione
CID 929834
N-Ethyl-N'-methylthiourea
CID 15568242
1-Piperazinecarbothioamide, 4-ethyl-N-methyl-
CID 859011
5-Isopropyl-1,3,5-triazinane-2-thione
CID 1864425
Thiourea, N,N-diethyl-N'-methyl-
CID 10953661
5-Butyl-1-ethyl-1,3,5-triazinane-2-thione
CID 4766769

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-ethyl-1,3,5-triazinane-2-thione (CID 736590) is 5-ethyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-ethyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-ethyl-1,3,5-triazinane-2-thione is CCN1CNC(=S)NC1.
What is the InChIKey of 5-ethyl-1,3,5-triazinane-2-thione?
The InChIKey is BXHMBJHMQYKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-2-8-3-6-5(9)7-4-8/h2-4H2,1H3,(H2,6,7,9).
What are the key properties of 5-ethyl-1,3,5-triazinane-2-thione?
5-ethyl-1,3,5-triazinane-2-thione has a molecular weight of 145.23 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 736590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).