3-methyl-5-methylsulfanyl-2H-pyrrole

C6H9NS — CID 143698000

IUPAC3-methyl-5-methylsulfanyl-2H-pyrrole
SMILESCSC1=NCC(C)=C1
InChIInChI=1S/C6H9NS/c1-5-3-6(8-2)7-4-5/h3H,4H2,1-2H3
InChIKeyZWBHBAFWMGVJJJ-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.71
Rot. Bonds

About 3-methyl-5-methylsulfanyl-2H-pyrrole

3-methyl-5-methylsulfanyl-2H-pyrrole (PubChem CID 143698000) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-2H-pyrrole.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-2H-pyrrole
PubChem CID143698000
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3-methyl-5-methylsulfanyl-2H-pyrrole
SMILESCSC1=NCC(C)=C1
InChIInChI=1S/C6H9NS/c1-5-3-6(8-2)7-4-5/h3H,4H2,1-2H3
InChIKeyZWBHBAFWMGVJJJ-UHFFFAOYSA-N
XLogP1.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Prop-1-en-1-yl)-4,5-dihydro-1,3-thiazole
CID 129752043
methyl N-ethyl-4-methylpenta-2,3-dienimidothioate
CID 11829857
2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 89114959
5-methylsulfanyl-2H-pyrrole
CID 123149328
(5E)-5-ethylidene-2-methyl-4H-1,3-thiazole
CID 129147823
ethane;3-methyl-5-methylsulfanyl-2H-pyrrole
CID 143697999
2-But-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 174357871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-2H-pyrrole?
The IUPAC name of 3-methyl-5-methylsulfanyl-2H-pyrrole (CID 143698000) is 3-methyl-5-methylsulfanyl-2H-pyrrole.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-2H-pyrrole?
The canonical SMILES for 3-methyl-5-methylsulfanyl-2H-pyrrole is CSC1=NCC(C)=C1.
What is the InChIKey of 3-methyl-5-methylsulfanyl-2H-pyrrole?
The InChIKey is ZWBHBAFWMGVJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-6(8-2)7-4-5/h3H,4H2,1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-2H-pyrrole?
3-methyl-5-methylsulfanyl-2H-pyrrole has a molecular weight of 127.21 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-2H-pyrrole is sourced from PubChem (CID 143698000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).