1,3-dithiolan-4-amine

C3H7NS2 — CID 87304051

IUPAC1,3-dithiolan-4-amine
SMILESNC1CSCS1
InChIInChI=1S/C3H7NS2/c4-3-1-5-2-6-3/h3H,1-2,4H2
InChIKeyQAKWUHGYZMYGHL-UHFFFAOYSA-N
MW121.23 g/mol
LogP0.71
Rot. Bonds

About 1,3-dithiolan-4-amine

1,3-dithiolan-4-amine (PubChem CID 87304051) has the molecular formula C3H7NS2 and a molecular weight of 121.23 g/mol. Its IUPAC name is 1,3-dithiolan-4-amine.

Molecular Properties

Compound Name1,3-dithiolan-4-amine
PubChem CID87304051
Molecular FormulaC3H7NS2
Molecular Weight121.23 g/mol
Exact Mass121.00
IUPAC Name1,3-dithiolan-4-amine
SMILESNC1CSCS1
InChIInChI=1S/C3H7NS2/c4-3-1-5-2-6-3/h3H,1-2,4H2
InChIKeyQAKWUHGYZMYGHL-UHFFFAOYSA-N
XLogP0.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithiolan-4-amine?
The IUPAC name of 1,3-dithiolan-4-amine (CID 87304051) is 1,3-dithiolan-4-amine.
What is the SMILES notation for 1,3-dithiolan-4-amine?
The canonical SMILES for 1,3-dithiolan-4-amine is NC1CSCS1.
What is the InChIKey of 1,3-dithiolan-4-amine?
The InChIKey is QAKWUHGYZMYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2/c4-3-1-5-2-6-3/h3H,1-2,4H2.
What are the key properties of 1,3-dithiolan-4-amine?
1,3-dithiolan-4-amine has a molecular weight of 121.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiolan-4-amine is sourced from PubChem (CID 87304051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).