3,5-dimethyl-1,3-thiazinane-6-thione

C6H11NS2 — CID 151175110

IUPAC3,5-dimethyl-1,3-thiazinane-6-thione
SMILESCC1CN(C)CSC1=S
InChIInChI=1S/C6H11NS2/c1-5-3-7(2)4-9-6(5)8/h5H,3-4H2,1-2H3
InChIKeyNDCKNDSJHYJFHQ-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.59
Rot. Bonds

About 3,5-dimethyl-1,3-thiazinane-6-thione

3,5-dimethyl-1,3-thiazinane-6-thione (PubChem CID 151175110) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-thiazinane-6-thione.

Molecular Properties

Compound Name3,5-dimethyl-1,3-thiazinane-6-thione
PubChem CID151175110
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name3,5-dimethyl-1,3-thiazinane-6-thione
SMILESCC1CN(C)CSC1=S
InChIInChI=1S/C6H11NS2/c1-5-3-7(2)4-9-6(5)8/h5H,3-4H2,1-2H3
InChIKeyNDCKNDSJHYJFHQ-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-thiazinane-6-thione?
The IUPAC name of 3,5-dimethyl-1,3-thiazinane-6-thione (CID 151175110) is 3,5-dimethyl-1,3-thiazinane-6-thione.
What is the SMILES notation for 3,5-dimethyl-1,3-thiazinane-6-thione?
The canonical SMILES for 3,5-dimethyl-1,3-thiazinane-6-thione is CC1CN(C)CSC1=S.
What is the InChIKey of 3,5-dimethyl-1,3-thiazinane-6-thione?
The InChIKey is NDCKNDSJHYJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-5-3-7(2)4-9-6(5)8/h5H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3-thiazinane-6-thione?
3,5-dimethyl-1,3-thiazinane-6-thione has a molecular weight of 161.29 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-thiazinane-6-thione is sourced from PubChem (CID 151175110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).