3,5-dimethyl-1,3-thiazinane-2-thione

C6H11NS2 — CID 57103221

IUPAC3,5-dimethyl-1,3-thiazinane-2-thione
SMILESCC1CSC(=S)N(C)C1
InChIInChI=1S/C6H11NS2/c1-5-3-7(2)6(8)9-4-5/h5H,3-4H2,1-2H3
InChIKeyZXZYUCCTPMAHRT-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.59
Rot. Bonds

About 3,5-dimethyl-1,3-thiazinane-2-thione

3,5-dimethyl-1,3-thiazinane-2-thione (PubChem CID 57103221) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-thiazinane-2-thione.

Molecular Properties

Compound Name3,5-dimethyl-1,3-thiazinane-2-thione
PubChem CID57103221
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name3,5-dimethyl-1,3-thiazinane-2-thione
SMILESCC1CSC(=S)N(C)C1
InChIInChI=1S/C6H11NS2/c1-5-3-7(2)6(8)9-4-5/h5H,3-4H2,1-2H3
InChIKeyZXZYUCCTPMAHRT-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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-2-thione?
The IUPAC name of 3,5-dimethyl-1,3-thiazinane-2-thione (CID 57103221) is 3,5-dimethyl-1,3-thiazinane-2-thione.
What is the SMILES notation for 3,5-dimethyl-1,3-thiazinane-2-thione?
The canonical SMILES for 3,5-dimethyl-1,3-thiazinane-2-thione is CC1CSC(=S)N(C)C1.
What is the InChIKey of 3,5-dimethyl-1,3-thiazinane-2-thione?
The InChIKey is ZXZYUCCTPMAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-5-3-7(2)6(8)9-4-5/h5H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3-thiazinane-2-thione?
3,5-dimethyl-1,3-thiazinane-2-thione has a molecular weight of 161.29 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-thiazinane-2-thione is sourced from PubChem (CID 57103221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).