5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione

C10H15NS3 — CID 167184582

IUPAC5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
SMILESCC(C)N1C(=S)C2CCSC2=CC1S
InChIInChI=1S/C10H15NS3/c1-6(2)11-9(12)5-8-7(10(11)13)3-4-14-8/h5-7,9,12H,3-4H2,1-2H3
InChIKeyOBRZUKPIAVAPFQ-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.93
Rot. Bonds1

About 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione

5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione (PubChem CID 167184582) has the molecular formula C10H15NS3 and a molecular weight of 245.44 g/mol. Its IUPAC name is 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione.

Molecular Properties

Compound Name5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
PubChem CID167184582
Molecular FormulaC10H15NS3
Molecular Weight245.44 g/mol
Exact Mass245.04
IUPAC Name5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
SMILESCC(C)N1C(=S)C2CCSC2=CC1S
InChIInChI=1S/C10H15NS3/c1-6(2)11-9(12)5-8-7(10(11)13)3-4-14-8/h5-7,9,12H,3-4H2,1-2H3
InChIKeyOBRZUKPIAVAPFQ-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione?
The IUPAC name of 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione (CID 167184582) is 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione.
What is the SMILES notation for 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione?
The canonical SMILES for 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione is CC(C)N1C(=S)C2CCSC2=CC1S.
What is the InChIKey of 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione?
The InChIKey is OBRZUKPIAVAPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS3/c1-6(2)11-9(12)5-8-7(10(11)13)3-4-14-8/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione?
5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione has a molecular weight of 245.44 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione is sourced from PubChem (CID 167184582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).