ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane

C10H15NOS — CID 125450389

IUPACethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1cccc(C)c1
InChIInChI=1S/C10H15NOS/c1-4-13(3,12)11-10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3/t13-/m1/s1
InChIKeyLJXNXSHOVPPAHX-CYBMUJFWSA-N
MW197.30 g/mol
LogP2.74
Rot. Bonds2

About ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane

ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane (PubChem CID 125450389) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane
PubChem CID125450389
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Nameethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1cccc(C)c1
InChIInChI=1S/C10H15NOS/c1-4-13(3,12)11-10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3/t13-/m1/s1
InChIKeyLJXNXSHOVPPAHX-CYBMUJFWSA-N
XLogP2.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131842572
N-(3-methylphenyl)butan-2-imine
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CID 70361760
1-isocyanato-3-methylbenzene;hydrate
CID 174282646
ethane;propane;1,3-xylene
CID 144528046
N-[3-[4-(3-methylphenyl)-2-sulfanylidenebutyl]phenyl]methanesulfonimidate
CID 165091848
N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine
CID 151191541
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125449498
N'-(3-methylphenyl)methanimidamide
CID 55300494
2-[(3-methylphenyl)diazenyl]ethanimine
CID 123458164
argon;1,3-xylene
CID 161468194

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane?
The IUPAC name of ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane (CID 125450389) is ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane?
The canonical SMILES for ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane is CC[S@@](C)(=O)=Nc1cccc(C)c1.
What is the InChIKey of ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane?
The InChIKey is LJXNXSHOVPPAHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-13(3,12)11-10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane?
ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane has a molecular weight of 197.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(3-methylphenyl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 125450389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).