methyl-dimethylidene-pyridin-3-yl-λ6-sulfane

C8H11NS — CID 163825956

IUPACmethyl-dimethylidene-pyridin-3-yl-λ6-sulfane
SMILESC=S(=C)(C)c1cccnc1
InChIInChI=1S/C8H11NS/c1-10(2,3)8-5-4-6-9-7-8/h4-7H,1-2H2,3H3
InChIKeyNZNASEVAGKPDTN-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.74
Rot. Bonds1

About methyl-dimethylidene-pyridin-3-yl-λ6-sulfane

methyl-dimethylidene-pyridin-3-yl-λ6-sulfane (PubChem CID 163825956) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is methyl-dimethylidene-pyridin-3-yl-λ6-sulfane.

Molecular Properties

Compound Namemethyl-dimethylidene-pyridin-3-yl-λ6-sulfane
PubChem CID163825956
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Namemethyl-dimethylidene-pyridin-3-yl-λ6-sulfane
SMILESC=S(=C)(C)c1cccnc1
InChIInChI=1S/C8H11NS/c1-10(2,3)8-5-4-6-9-7-8/h4-7H,1-2H2,3H3
InChIKeyNZNASEVAGKPDTN-UHFFFAOYSA-N
XLogP1.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pyridine-3-sulfonamide;hydrochloride
CID 67156649
CID 118692694
CID 118692694
calcium bis(pyridine-3-sulfonate)
CID 87775779
3-(benzenesulfonyl)pyridine
CID 5147032
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
3-(2-methylpropylsulfonyl)pyridine
CID 166834776
ethyl pyridine-3-sulfonate
CID 156789856
3-(difluoromethylsulfonyl)pyridine
CID 75530035
N-propylpyridine-3-sulfonamide
CID 43258995
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702

Frequently Asked Questions

What is the IUPAC name of methyl-dimethylidene-pyridin-3-yl-λ6-sulfane?
The IUPAC name of methyl-dimethylidene-pyridin-3-yl-λ6-sulfane (CID 163825956) is methyl-dimethylidene-pyridin-3-yl-λ6-sulfane.
What is the SMILES notation for methyl-dimethylidene-pyridin-3-yl-λ6-sulfane?
The canonical SMILES for methyl-dimethylidene-pyridin-3-yl-λ6-sulfane is C=S(=C)(C)c1cccnc1.
What is the InChIKey of methyl-dimethylidene-pyridin-3-yl-λ6-sulfane?
The InChIKey is NZNASEVAGKPDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-10(2,3)8-5-4-6-9-7-8/h4-7H,1-2H2,3H3.
What are the key properties of methyl-dimethylidene-pyridin-3-yl-λ6-sulfane?
methyl-dimethylidene-pyridin-3-yl-λ6-sulfane has a molecular weight of 153.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-dimethylidene-pyridin-3-yl-λ6-sulfane is sourced from PubChem (CID 163825956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).