1,5,5-trimethyl-1,3-diazinane-2-thione

C7H14N2S — CID 12820904

IUPAC1,5,5-trimethyl-1,3-diazinane-2-thione
SMILESCN1CC(C)(C)CNC1=S
InChIInChI=1S/C7H14N2S/c1-7(2)4-8-6(10)9(3)5-7/h4-5H2,1-3H3,(H,8,10)
InChIKeyZMSONPCVXQVOGT-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.83
Rot. Bonds

About 1,5,5-trimethyl-1,3-diazinane-2-thione

1,5,5-trimethyl-1,3-diazinane-2-thione (PubChem CID 12820904) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1,5,5-trimethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1,5,5-trimethyl-1,3-diazinane-2-thione
PubChem CID12820904
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1,5,5-trimethyl-1,3-diazinane-2-thione
SMILESCN1CC(C)(C)CNC1=S
InChIInChI=1S/C7H14N2S/c1-7(2)4-8-6(10)9(3)5-7/h4-5H2,1-3H3,(H,8,10)
InChIKeyZMSONPCVXQVOGT-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydropyrimidine-2-thione
CID 2723785
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
5-[3-(Dimethylamino)propyl]-1,3,5-triazinane-2-thione
CID 741677
5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol
CID 3866487
5-Propyl-1,3,5-triazinane-2-thione
CID 929834
5-Isopropyl-1,3,5-triazinane-2-thione
CID 1864425
Hexahydropyrimi-dine-4-thione
CID 3032421
4-Aminotetrahydropyrimidine-2(1h)-thione
CID 57185552
5-Butyl-1-ethyl-1,3,5-triazinane-2-thione
CID 4766769
5-Ethyl-1,3,5-triazinane-2-thione
CID 736590

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-1,3-diazinane-2-thione?
The IUPAC name of 1,5,5-trimethyl-1,3-diazinane-2-thione (CID 12820904) is 1,5,5-trimethyl-1,3-diazinane-2-thione.
What is the SMILES notation for 1,5,5-trimethyl-1,3-diazinane-2-thione?
The canonical SMILES for 1,5,5-trimethyl-1,3-diazinane-2-thione is CN1CC(C)(C)CNC1=S.
What is the InChIKey of 1,5,5-trimethyl-1,3-diazinane-2-thione?
The InChIKey is ZMSONPCVXQVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-7(2)4-8-6(10)9(3)5-7/h4-5H2,1-3H3,(H,8,10).
What are the key properties of 1,5,5-trimethyl-1,3-diazinane-2-thione?
1,5,5-trimethyl-1,3-diazinane-2-thione has a molecular weight of 158.27 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 12820904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).