1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile

C13H15NOS — CID 117034789

IUPAC1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
SMILESCC(C)Oc1ccc(SC2(C#N)CC2)cc1
InChIInChI=1S/C13H15NOS/c1-10(2)15-11-3-5-12(6-4-11)16-13(9-14)7-8-13/h3-6,10H,7-8H2,1-2H3
InChIKeyCZEOSRDOAAJCQS-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile

1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile (PubChem CID 117034789) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
PubChem CID117034789
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
SMILESCC(C)Oc1ccc(SC2(C#N)CC2)cc1
InChIInChI=1S/C13H15NOS/c1-10(2)15-11-3-5-12(6-4-11)16-13(9-14)7-8-13/h3-6,10H,7-8H2,1-2H3
InChIKeyCZEOSRDOAAJCQS-UHFFFAOYSA-N
XLogP3.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837097
[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol
CID 117034826
1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine
CID 143303513
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile
CID 116841843
3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
1-(3,4-dimethylphenyl)sulfanylcyclobutane-1-carbonitrile
CID 117034910
3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile
CID 116959266
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile (CID 117034789) is 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile is CC(C)Oc1ccc(SC2(C#N)CC2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile?
The InChIKey is CZEOSRDOAAJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10(2)15-11-3-5-12(6-4-11)16-13(9-14)7-8-13/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile?
1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile is sourced from PubChem (CID 117034789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).