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

C8H15NS — CID 143697999

IUPACethane;3-methyl-5-methylsulfanyl-2H-pyrrole
SMILESCC.CSC1=NCC(C)=C1
InChIInChI=1S/C6H9NS.C2H6/c1-5-3-6(8-2)7-4-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyGMBOOVGTSDWWBH-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.73
Rot. Bonds

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

ethane;3-methyl-5-methylsulfanyl-2H-pyrrole (PubChem CID 143697999) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is ethane;3-methyl-5-methylsulfanyl-2H-pyrrole.

Molecular Properties

Compound Nameethane;3-methyl-5-methylsulfanyl-2H-pyrrole
PubChem CID143697999
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Nameethane;3-methyl-5-methylsulfanyl-2H-pyrrole
SMILESCC.CSC1=NCC(C)=C1
InChIInChI=1S/C6H9NS.C2H6/c1-5-3-6(8-2)7-4-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyGMBOOVGTSDWWBH-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-ethyl-4-methylpenta-2,3-dienimidothioate
CID 11829857
5-methylsulfanyl-2H-pyrrole
CID 123149328
2,5-dimethyl-4H-1,3-thiazine;ethane
CID 143409599
methyl N-(2-methylprop-2-enyl)propanimidothioate
CID 166814547
(4R)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole
CID 15891438
4-Ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole
CID 21580904
(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole
CID 102007797
3-methyl-5-methylsulfanyl-2H-pyrrole
CID 143698000

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-methylsulfanyl-2H-pyrrole?
The IUPAC name of ethane;3-methyl-5-methylsulfanyl-2H-pyrrole (CID 143697999) is ethane;3-methyl-5-methylsulfanyl-2H-pyrrole.
What is the SMILES notation for ethane;3-methyl-5-methylsulfanyl-2H-pyrrole?
The canonical SMILES for ethane;3-methyl-5-methylsulfanyl-2H-pyrrole is CC.CSC1=NCC(C)=C1.
What is the InChIKey of ethane;3-methyl-5-methylsulfanyl-2H-pyrrole?
The InChIKey is GMBOOVGTSDWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C2H6/c1-5-3-6(8-2)7-4-5;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-5-methylsulfanyl-2H-pyrrole?
ethane;3-methyl-5-methylsulfanyl-2H-pyrrole has a molecular weight of 157.28 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-methylsulfanyl-2H-pyrrole is sourced from PubChem (CID 143697999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).