2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane

C14H18O2S — CID 19774077

IUPAC2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane
SMILESCC1(C2(CSc3ccccc3)CC2)OCCO1
InChIInChI=1S/C14H18O2S/c1-13(15-9-10-16-13)14(7-8-14)11-17-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyANJIZGOVCWMCCY-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.32
Rot. Bonds4

About 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane

2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane (PubChem CID 19774077) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane
PubChem CID19774077
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane
SMILESCC1(C2(CSc3ccccc3)CC2)OCCO1
InChIInChI=1S/C14H18O2S/c1-13(15-9-10-16-13)14(7-8-14)11-17-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyANJIZGOVCWMCCY-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116
2-(Phenylsulfanylmethyl)-1,3-dioxolane
CID 10488127
3-Methyl-2-(phenylsulfanylmethyl)oxolan-2-ol
CID 10585253
3-[(4S,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 11823373
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
1,4-Dioxaspiro[4.5]dec-8-YL phenyl sulfide
CID 14469714
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645
9-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
CID 15122647
(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane
CID 15161471
(7S)-7-Methyl-7-[(phenylsulfanyl)methyl]-1,4-dioxaspiro[4.4]nonane
CID 71418403
(4R,5S)-4-ethyl-2,2-dimethyl-5-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxolane
CID 101757726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane (CID 19774077) is 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane is CC1(C2(CSc3ccccc3)CC2)OCCO1.
What is the InChIKey of 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane?
The InChIKey is ANJIZGOVCWMCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-13(15-9-10-16-13)14(7-8-14)11-17-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane?
2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane has a molecular weight of 250.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(phenylsulfanylmethyl)cyclopropyl]-1,3-dioxolane is sourced from PubChem (CID 19774077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).