[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate

C9H15N5OS2 — CID 34253053

IUPAC[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate
SMILESCOc1nc(SC(=S)N(C)C)nc(N(C)C)n1
InChIInChI=1S/C9H15N5OS2/c1-13(2)6-10-7(15-5)12-8(11-6)17-9(16)14(3)4/h1-5H3
InChIKeyBFBPQVWRFVDJSJ-UHFFFAOYSA-N
MW273.39 g/mol
LogP0.88
Rot. Bonds3

About [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate

[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate (PubChem CID 34253053) has the molecular formula C9H15N5OS2 and a molecular weight of 273.39 g/mol. Its IUPAC name is [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate
PubChem CID34253053
Molecular FormulaC9H15N5OS2
Molecular Weight273.39 g/mol
Exact Mass273.07
IUPAC Name[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate
SMILESCOc1nc(SC(=S)N(C)C)nc(N(C)C)n1
InChIInChI=1S/C9H15N5OS2/c1-13(2)6-10-7(15-5)12-8(11-6)17-9(16)14(3)4/h1-5H3
InChIKeyBFBPQVWRFVDJSJ-UHFFFAOYSA-N
XLogP0.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate?
The IUPAC name of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate (CID 34253053) is [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate is COc1nc(SC(=S)N(C)C)nc(N(C)C)n1.
What is the InChIKey of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate?
The InChIKey is BFBPQVWRFVDJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS2/c1-13(2)6-10-7(15-5)12-8(11-6)17-9(16)14(3)4/h1-5H3.
What are the key properties of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate?
[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate has a molecular weight of 273.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 34253053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).