4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol

C6H11NS2 — CID 87419761

IUPAC4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol
SMILESCNC1=C(S)CSCC1
InChIInChI=1S/C6H11NS2/c1-7-5-2-3-9-4-6(5)8/h7-8H,2-4H2,1H3
InChIKeyGUQHULGEWHRQJA-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.48
Rot. Bonds1

About 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol

4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol (PubChem CID 87419761) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol.

Molecular Properties

Compound Name4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol
PubChem CID87419761
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol
SMILESCNC1=C(S)CSCC1
InChIInChI=1S/C6H11NS2/c1-7-5-2-3-9-4-6(5)8/h7-8H,2-4H2,1H3
InChIKeyGUQHULGEWHRQJA-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol?
The IUPAC name of 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol (CID 87419761) is 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol.
What is the SMILES notation for 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol?
The canonical SMILES for 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol is CNC1=C(S)CSCC1.
What is the InChIKey of 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol?
The InChIKey is GUQHULGEWHRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-7-5-2-3-9-4-6(5)8/h7-8H,2-4H2,1H3.
What are the key properties of 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol?
4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol has a molecular weight of 161.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol is sourced from PubChem (CID 87419761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).