2-bromoprop-2-enylsulfanylmethylcyclopropane

C7H11BrS — CID 130775642

IUPAC2-bromoprop-2-enylsulfanylmethylcyclopropane
SMILESC=C(Br)CSCC1CC1
InChIInChI=1S/C7H11BrS/c1-6(8)4-9-5-7-2-3-7/h7H,1-5H2
InChIKeyOIHMUJGTSLKYOJ-UHFFFAOYSA-N
MW207.14 g/mol
LogP3.04
Rot. Bonds4

About 2-bromoprop-2-enylsulfanylmethylcyclopropane

2-bromoprop-2-enylsulfanylmethylcyclopropane (PubChem CID 130775642) has the molecular formula C7H11BrS and a molecular weight of 207.14 g/mol. Its IUPAC name is 2-bromoprop-2-enylsulfanylmethylcyclopropane.

Molecular Properties

Compound Name2-bromoprop-2-enylsulfanylmethylcyclopropane
PubChem CID130775642
Molecular FormulaC7H11BrS
Molecular Weight207.14 g/mol
Exact Mass205.98
IUPAC Name2-bromoprop-2-enylsulfanylmethylcyclopropane
SMILESC=C(Br)CSCC1CC1
InChIInChI=1S/C7H11BrS/c1-6(8)4-9-5-7-2-3-7/h7H,1-5H2
InChIKeyOIHMUJGTSLKYOJ-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-2-enylsulfanylmethylcyclopropane?
The IUPAC name of 2-bromoprop-2-enylsulfanylmethylcyclopropane (CID 130775642) is 2-bromoprop-2-enylsulfanylmethylcyclopropane.
What is the SMILES notation for 2-bromoprop-2-enylsulfanylmethylcyclopropane?
The canonical SMILES for 2-bromoprop-2-enylsulfanylmethylcyclopropane is C=C(Br)CSCC1CC1.
What is the InChIKey of 2-bromoprop-2-enylsulfanylmethylcyclopropane?
The InChIKey is OIHMUJGTSLKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrS/c1-6(8)4-9-5-7-2-3-7/h7H,1-5H2.
What are the key properties of 2-bromoprop-2-enylsulfanylmethylcyclopropane?
2-bromoprop-2-enylsulfanylmethylcyclopropane has a molecular weight of 207.14 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-2-enylsulfanylmethylcyclopropane is sourced from PubChem (CID 130775642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).