1-ethyl-4-methylsulfanylbenzene;methanamine

C10H17NS — CID 168997767

IUPAC1-ethyl-4-methylsulfanylbenzene;methanamine
SMILESCCc1ccc(SC)cc1.CN
InChIInChI=1S/C9H12S.CH5N/c1-3-8-4-6-9(10-2)7-5-8;1-2/h4-7H,3H2,1-2H3;2H2,1H3
InChIKeyHZLPOOYJQGKELL-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.55
Rot. Bonds2

About 1-ethyl-4-methylsulfanylbenzene;methanamine

1-ethyl-4-methylsulfanylbenzene;methanamine (PubChem CID 168997767) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylbenzene;methanamine.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylbenzene;methanamine
PubChem CID168997767
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-ethyl-4-methylsulfanylbenzene;methanamine
SMILESCCc1ccc(SC)cc1.CN
InChIInChI=1S/C9H12S.CH5N/c1-3-8-4-6-9(10-2)7-5-8;1-2/h4-7H,3H2,1-2H3;2H2,1H3
InChIKeyHZLPOOYJQGKELL-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-methylsulfanylbenzene
CID 142218139
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114963469
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
(4-methylsulfanylphenyl)methanethiol
CID 14625012
2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene
CID 88860115
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2901181
CID 15984391
CID 15984391
N-ethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 115206026
1-ethyl-4-(3-methylsulfanylphenyl)benzene
CID 139494448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylbenzene;methanamine?
The IUPAC name of 1-ethyl-4-methylsulfanylbenzene;methanamine (CID 168997767) is 1-ethyl-4-methylsulfanylbenzene;methanamine.
What is the SMILES notation for 1-ethyl-4-methylsulfanylbenzene;methanamine?
The canonical SMILES for 1-ethyl-4-methylsulfanylbenzene;methanamine is CCc1ccc(SC)cc1.CN.
What is the InChIKey of 1-ethyl-4-methylsulfanylbenzene;methanamine?
The InChIKey is HZLPOOYJQGKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S.CH5N/c1-3-8-4-6-9(10-2)7-5-8;1-2/h4-7H,3H2,1-2H3;2H2,1H3.
What are the key properties of 1-ethyl-4-methylsulfanylbenzene;methanamine?
1-ethyl-4-methylsulfanylbenzene;methanamine has a molecular weight of 183.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylbenzene;methanamine is sourced from PubChem (CID 168997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).