4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

C10H14N4S — CID 70256012

IUPAC4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncnc(SC)n1
InChIInChI=1S/C10H14N4S/c1-4-6-14(7-5-2)9-11-8-12-10(13-9)15-3/h4-5,8H,1-2,6-7H2,3H3
InChIKeyXFLVTKOUSWDLJL-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.77
Rot. Bonds6

About 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 70256012) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID70256012
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncnc(SC)n1
InChIInChI=1S/C10H14N4S/c1-4-6-14(7-5-2)9-11-8-12-10(13-9)15-3/h4-5,8H,1-2,6-7H2,3H3
InChIKeyXFLVTKOUSWDLJL-UHFFFAOYSA-N
XLogP1.77
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (CID 70256012) is 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is C=CCN(CC=C)c1ncnc(SC)n1.
What is the InChIKey of 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is XFLVTKOUSWDLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-4-6-14(7-5-2)9-11-8-12-10(13-9)15-3/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 222.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 70256012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).