methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane

C7H11NS — CID 158304487

IUPACmethyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane
SMILESC=S(C)C1=NC(C)=CC1
InChIInChI=1S/C7H11NS/c1-6-4-5-7(8-6)9(2)3/h4H,2,5H2,1,3H3
InChIKeyILKZARGCQUKBID-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.02
Rot. Bonds

About methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane

methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane (PubChem CID 158304487) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane
PubChem CID158304487
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Namemethyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane
SMILESC=S(C)C1=NC(C)=CC1
InChIInChI=1S/C7H11NS/c1-6-4-5-7(8-6)9(2)3/h4H,2,5H2,1,3H3
InChIKeyILKZARGCQUKBID-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
CID 59897658
(4Z)-2,5-dimethyl-4-propylidene-1,3-thiazole
CID 143927595
5-tert-butyl-2-methylsulfanyl-3H-pyrrole
CID 157084402
2-methylsulfanyl-5-propan-2-yl-3H-pyrrole
CID 157191115
(5-tert-butyl-3H-pyrrol-2-yl)-methyl-methylidene-lambda4-sulfane
CID 157541506
5-methyl-2-methylsulfinyl-3H-pyrrole
CID 158268178
methyl N-[(E)-pent-2-en-2-yl]butanimidothioate
CID 168972526

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane?
The IUPAC name of methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane (CID 158304487) is methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane?
The canonical SMILES for methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane is C=S(C)C1=NC(C)=CC1.
What is the InChIKey of methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane?
The InChIKey is ILKZARGCQUKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-4-5-7(8-6)9(2)3/h4H,2,5H2,1,3H3.
What are the key properties of methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane?
methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane has a molecular weight of 141.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-λ4-sulfane is sourced from PubChem (CID 158304487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).