dithiophen-2-ylmethanamine

C9H9NS2 — CID 22506771

IUPACdithiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1cccs1
InChIInChI=1S/C9H9NS2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H,10H2
InChIKeyHEAOJLNXGDGSIZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.86
Rot. Bonds2

About dithiophen-2-ylmethanamine

dithiophen-2-ylmethanamine (PubChem CID 22506771) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is dithiophen-2-ylmethanamine.

Molecular Properties

Compound Namedithiophen-2-ylmethanamine
PubChem CID22506771
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Namedithiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1cccs1
InChIInChI=1S/C9H9NS2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H,10H2
InChIKeyHEAOJLNXGDGSIZ-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dithiophen-2-ylmethanamine?
The IUPAC name of dithiophen-2-ylmethanamine (CID 22506771) is dithiophen-2-ylmethanamine.
What is the SMILES notation for dithiophen-2-ylmethanamine?
The canonical SMILES for dithiophen-2-ylmethanamine is NC(c1cccs1)c1cccs1.
What is the InChIKey of dithiophen-2-ylmethanamine?
The InChIKey is HEAOJLNXGDGSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H,10H2.
What are the key properties of dithiophen-2-ylmethanamine?
dithiophen-2-ylmethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dithiophen-2-ylmethanamine is sourced from PubChem (CID 22506771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).