ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione

C11H19NS3 — CID 143080069

IUPACethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
SMILESCC.CCC1C(=S)N(C)C(=S)C=C1SC
InChIInChI=1S/C9H13NS3.C2H6/c1-4-6-7(13-3)5-8(11)10(2)9(6)12;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyIMQZKLCQOMRSRR-UHFFFAOYSA-N
MW261.48 g/mol
LogP3.89
Rot. Bonds2

About ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione

ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione (PubChem CID 143080069) has the molecular formula C11H19NS3 and a molecular weight of 261.48 g/mol. Its IUPAC name is ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Nameethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
PubChem CID143080069
Molecular FormulaC11H19NS3
Molecular Weight261.48 g/mol
Exact Mass261.07
IUPAC Nameethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
SMILESCC.CCC1C(=S)N(C)C(=S)C=C1SC
InChIInChI=1S/C9H13NS3.C2H6/c1-4-6-7(13-3)5-8(11)10(2)9(6)12;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyIMQZKLCQOMRSRR-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 22085288
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142212042
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane
CID 142927882
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
CID 142927970
Ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 143080088
ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080095
(Z)-N,N,3-trimethyl-4-methylsulfanylhept-4-en-1-amine
CID 143782135
5-Methyl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
CID 154549853

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The IUPAC name of ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione (CID 143080069) is ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione.
What is the SMILES notation for ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The canonical SMILES for ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione is CC.CCC1C(=S)N(C)C(=S)C=C1SC.
What is the InChIKey of ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The InChIKey is IMQZKLCQOMRSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS3.C2H6/c1-4-6-7(13-3)5-8(11)10(2)9(6)12;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione has a molecular weight of 261.48 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 143080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).