1-(4-methoxyphenyl)iminothiane

C12H17NOS — CID 642019

IUPAC1-(4-methoxyphenyl)iminothiane
SMILESCOc1ccc(N=S2CCCCC2)cc1
InChIInChI=1S/C12H17NOS/c1-14-12-7-5-11(6-8-12)13-15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3
InChIKeyKMGIHKPQDVKDGA-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-methoxyphenyl)iminothiane

1-(4-methoxyphenyl)iminothiane (PubChem CID 642019) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)iminothiane.

Molecular Properties

Compound Name1-(4-methoxyphenyl)iminothiane
PubChem CID642019
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(4-methoxyphenyl)iminothiane
SMILESCOc1ccc(N=S2CCCCC2)cc1
InChIInChI=1S/C12H17NOS/c1-14-12-7-5-11(6-8-12)13-15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3
InChIKeyKMGIHKPQDVKDGA-UHFFFAOYSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)iminothiane?
The IUPAC name of 1-(4-methoxyphenyl)iminothiane (CID 642019) is 1-(4-methoxyphenyl)iminothiane.
What is the SMILES notation for 1-(4-methoxyphenyl)iminothiane?
The canonical SMILES for 1-(4-methoxyphenyl)iminothiane is COc1ccc(N=S2CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)iminothiane?
The InChIKey is KMGIHKPQDVKDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-14-12-7-5-11(6-8-12)13-15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)iminothiane?
1-(4-methoxyphenyl)iminothiane has a molecular weight of 223.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)iminothiane is sourced from PubChem (CID 642019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).