N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide

C5H6N4OS2 — CID 21423087

IUPACN-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C5H6N4OS2/c1-2(10)6-3-7-4(11)9-5(12)8-3/h1H3,(H3,6,7,8,9,10,11,12)
InChIKeyLLMHDUCJTARDIG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.16
Rot. Bonds1

About N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide

N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide (PubChem CID 21423087) has the molecular formula C5H6N4OS2 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide
PubChem CID21423087
Molecular FormulaC5H6N4OS2
Molecular Weight202.26 g/mol
Exact Mass202.00
IUPAC NameN-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C5H6N4OS2/c1-2(10)6-3-7-4(11)9-5(12)8-3/h1H3,(H3,6,7,8,9,10,11,12)
InChIKeyLLMHDUCJTARDIG-UHFFFAOYSA-N
XLogP1.16
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
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 N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide (CID 21423087) is N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide?
The InChIKey is LLMHDUCJTARDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4OS2/c1-2(10)6-3-7-4(11)9-5(12)8-3/h1H3,(H3,6,7,8,9,10,11,12).
What are the key properties of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide?
N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide has a molecular weight of 202.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 21423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).