(1-ethylcyclopropyl)sulfanylbenzene

C11H14S — CID 12836417

IUPAC(1-ethylcyclopropyl)sulfanylbenzene
SMILESCCC1(Sc2ccccc2)CC1
InChIInChI=1S/C11H14S/c1-2-11(8-9-11)12-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyIVZVMEZSPJEPIP-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.72
Rot. Bonds3

About (1-ethylcyclopropyl)sulfanylbenzene

(1-ethylcyclopropyl)sulfanylbenzene (PubChem CID 12836417) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is (1-ethylcyclopropyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-ethylcyclopropyl)sulfanylbenzene
PubChem CID12836417
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name(1-ethylcyclopropyl)sulfanylbenzene
SMILESCCC1(Sc2ccccc2)CC1
InChIInChI=1S/C11H14S/c1-2-11(8-9-11)12-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyIVZVMEZSPJEPIP-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-octylcyclopropyl)sulfanylbenzene
CID 12950451
N-[(1-phenylsulfanylcyclopropyl)methyl]butan-2-amine
CID 115718486
[1-(3-bromopropyl)cyclopropyl]sulfanylbenzene
CID 121011781
2-(1-phenylsulfanylcyclobutyl)acetic acid
CID 66745606
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
CID 65141808
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119782926
1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971227
1-[2-(diethylamino)ethyl]-2-methyl-3-[(1-phenylsulfanylcyclopropyl)methyl]guanidine
CID 111557715
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
5-[(1-phenylsulfanylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685576

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopropyl)sulfanylbenzene?
The IUPAC name of (1-ethylcyclopropyl)sulfanylbenzene (CID 12836417) is (1-ethylcyclopropyl)sulfanylbenzene.
What is the SMILES notation for (1-ethylcyclopropyl)sulfanylbenzene?
The canonical SMILES for (1-ethylcyclopropyl)sulfanylbenzene is CCC1(Sc2ccccc2)CC1.
What is the InChIKey of (1-ethylcyclopropyl)sulfanylbenzene?
The InChIKey is IVZVMEZSPJEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-2-11(8-9-11)12-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of (1-ethylcyclopropyl)sulfanylbenzene?
(1-ethylcyclopropyl)sulfanylbenzene has a molecular weight of 178.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopropyl)sulfanylbenzene is sourced from PubChem (CID 12836417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).