(4S)-4-methyl-1,3-diazinane-2-thione

C5H10N2S — CID 87683022

IUPAC(4S)-4-methyl-1,3-diazinane-2-thione
SMILESC[C@H]1CCNC(=S)N1
InChIInChI=1S/C5H10N2S/c1-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)/t4-/m0/s1
InChIKeyXNNIDXFRCYZKDF-BYPYZUCNSA-N
MW130.22 g/mol
LogP0.24
Rot. Bonds

About (4S)-4-methyl-1,3-diazinane-2-thione

(4S)-4-methyl-1,3-diazinane-2-thione (PubChem CID 87683022) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (4S)-4-methyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name(4S)-4-methyl-1,3-diazinane-2-thione
PubChem CID87683022
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(4S)-4-methyl-1,3-diazinane-2-thione
SMILESC[C@H]1CCNC(=S)N1
InChIInChI=1S/C5H10N2S/c1-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)/t4-/m0/s1
InChIKeyXNNIDXFRCYZKDF-BYPYZUCNSA-N
XLogP0.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
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
1-Butyltetrahydro-2(1H)-pyrimidinethione
CID 3000716
(1-Methylpiperidin-4-yl)thiourea
CID 23041969
2-Thiono-4,6-dimethyltetrahydropyrimidin
CID 3627657
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
2-Thiono-6-methyltetrahydropyrimidin
CID 14122811
4-Aminotetrahydropyrimidine-2(1h)-thione
CID 57185552

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1,3-diazinane-2-thione?
The IUPAC name of (4S)-4-methyl-1,3-diazinane-2-thione (CID 87683022) is (4S)-4-methyl-1,3-diazinane-2-thione.
What is the SMILES notation for (4S)-4-methyl-1,3-diazinane-2-thione?
The canonical SMILES for (4S)-4-methyl-1,3-diazinane-2-thione is C[C@H]1CCNC(=S)N1.
What is the InChIKey of (4S)-4-methyl-1,3-diazinane-2-thione?
The InChIKey is XNNIDXFRCYZKDF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)/t4-/m0/s1.
What are the key properties of (4S)-4-methyl-1,3-diazinane-2-thione?
(4S)-4-methyl-1,3-diazinane-2-thione has a molecular weight of 130.22 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1,3-diazinane-2-thione is sourced from PubChem (CID 87683022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).