3-amino-3H-thiophene-2-thione

C4H5NS2 — CID 18366256

IUPAC3-amino-3H-thiophene-2-thione
SMILESNC1C=CSC1=S
InChIInChI=1S/C4H5NS2/c5-3-1-2-7-4(3)6/h1-3H,5H2
InChIKeyUCLSXPYUXUVAKE-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.90
Rot. Bonds

About 3-amino-3H-thiophene-2-thione

3-amino-3H-thiophene-2-thione (PubChem CID 18366256) has the molecular formula C4H5NS2 and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-amino-3H-thiophene-2-thione.

Molecular Properties

Compound Name3-amino-3H-thiophene-2-thione
PubChem CID18366256
Molecular FormulaC4H5NS2
Molecular Weight131.22 g/mol
Exact Mass130.99
IUPAC Name3-amino-3H-thiophene-2-thione
SMILESNC1C=CSC1=S
InChIInChI=1S/C4H5NS2/c5-3-1-2-7-4(3)6/h1-3H,5H2
InChIKeyUCLSXPYUXUVAKE-UHFFFAOYSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-amino-3H-thiophene-2-thione?
The IUPAC name of 3-amino-3H-thiophene-2-thione (CID 18366256) is 3-amino-3H-thiophene-2-thione.
What is the SMILES notation for 3-amino-3H-thiophene-2-thione?
The canonical SMILES for 3-amino-3H-thiophene-2-thione is NC1C=CSC1=S.
What is the InChIKey of 3-amino-3H-thiophene-2-thione?
The InChIKey is UCLSXPYUXUVAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS2/c5-3-1-2-7-4(3)6/h1-3H,5H2.
What are the key properties of 3-amino-3H-thiophene-2-thione?
3-amino-3H-thiophene-2-thione has a molecular weight of 131.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3H-thiophene-2-thione is sourced from PubChem (CID 18366256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).