1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol

C7H13NS — CID 143797085

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol
SMILESCC1=C(S)CN(C)CC1
InChIInChI=1S/C7H13NS/c1-6-3-4-8(2)5-7(6)9/h9H,3-5H2,1-2H3
InChIKeyHLKPWEFTPWVHHB-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.53
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol

1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol (PubChem CID 143797085) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol
PubChem CID143797085
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol
SMILESCC1=C(S)CN(C)CC1
InChIInChI=1S/C7H13NS/c1-6-3-4-8(2)5-7(6)9/h9H,3-5H2,1-2H3
InChIKeyHLKPWEFTPWVHHB-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,5-trimethyl-3,6-dihydro-2H-pyridine
CID 15937535
1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345780
4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine
CID 142131403
1,4-Dimethyl-2,3-dihydropyridine-6-thione
CID 171816859
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanethiol
CID 117205534
(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanethiol
CID 117205535
(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanethiol
CID 117205595
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol
CID 117205651

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol (CID 143797085) is 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol is CC1=C(S)CN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol?
The InChIKey is HLKPWEFTPWVHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-3-4-8(2)5-7(6)9/h9H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol?
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol has a molecular weight of 143.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol is sourced from PubChem (CID 143797085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).