1-cyclopropylimino-4-methylthiane;ethane

C13H29NS — CID 164564286

IUPAC1-cyclopropylimino-4-methylthiane;ethane
SMILESCC.CC.CC1CCS(=NC2CC2)CC1
InChIInChI=1S/C9H17NS.2C2H6/c1-8-4-6-11(7-5-8)10-9-2-3-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyCPOIAZUSEWHFIP-UHFFFAOYSA-N
MW231.45 g/mol
LogP4.43
Rot. Bonds1

About 1-cyclopropylimino-4-methylthiane;ethane

1-cyclopropylimino-4-methylthiane;ethane (PubChem CID 164564286) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is 1-cyclopropylimino-4-methylthiane;ethane.

Molecular Properties

Compound Name1-cyclopropylimino-4-methylthiane;ethane
PubChem CID164564286
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC Name1-cyclopropylimino-4-methylthiane;ethane
SMILESCC.CC.CC1CCS(=NC2CC2)CC1
InChIInChI=1S/C9H17NS.2C2H6/c1-8-4-6-11(7-5-8)10-9-2-3-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyCPOIAZUSEWHFIP-UHFFFAOYSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
4-methylthiane 1-oxide;hydrate
CID 144515391
ethane;methylcyclopropane
CID 158329065
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylimino-4-methylthiane;ethane?
The IUPAC name of 1-cyclopropylimino-4-methylthiane;ethane (CID 164564286) is 1-cyclopropylimino-4-methylthiane;ethane.
What is the SMILES notation for 1-cyclopropylimino-4-methylthiane;ethane?
The canonical SMILES for 1-cyclopropylimino-4-methylthiane;ethane is CC.CC.CC1CCS(=NC2CC2)CC1.
What is the InChIKey of 1-cyclopropylimino-4-methylthiane;ethane?
The InChIKey is CPOIAZUSEWHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.2C2H6/c1-8-4-6-11(7-5-8)10-9-2-3-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3.
What are the key properties of 1-cyclopropylimino-4-methylthiane;ethane?
1-cyclopropylimino-4-methylthiane;ethane has a molecular weight of 231.45 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylimino-4-methylthiane;ethane is sourced from PubChem (CID 164564286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).