methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate

C8H13NS3 — CID 141035954

IUPACmethyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate
SMILESCSC(=S)C1N=CC(C)(C)CS1
InChIInChI=1S/C8H13NS3/c1-8(2)4-9-6(12-5-8)7(10)11-3/h4,6H,5H2,1-3H3
InChIKeySUKNVQAJTQEEBE-UHFFFAOYSA-N
MW219.40 g/mol
LogP2.85
Rot. Bonds1

About methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate

methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate (PubChem CID 141035954) has the molecular formula C8H13NS3 and a molecular weight of 219.40 g/mol. Its IUPAC name is methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate.

Molecular Properties

Compound Namemethyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate
PubChem CID141035954
Molecular FormulaC8H13NS3
Molecular Weight219.40 g/mol
Exact Mass219.02
IUPAC Namemethyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate
SMILESCSC(=S)C1N=CC(C)(C)CS1
InChIInChI=1S/C8H13NS3/c1-8(2)4-9-6(12-5-8)7(10)11-3/h4,6H,5H2,1-3H3
InChIKeySUKNVQAJTQEEBE-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate?
The IUPAC name of methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate (CID 141035954) is methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate.
What is the SMILES notation for methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate?
The canonical SMILES for methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate is CSC(=S)C1N=CC(C)(C)CS1.
What is the InChIKey of methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate?
The InChIKey is SUKNVQAJTQEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS3/c1-8(2)4-9-6(12-5-8)7(10)11-3/h4,6H,5H2,1-3H3.
What are the key properties of methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate?
methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate has a molecular weight of 219.40 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-dimethyl-2,6-dihydro-1,3-thiazine-2-carbodithioate is sourced from PubChem (CID 141035954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).