methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate

C11H11ClO2S — CID 156652998

IUPACmethyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccc(SCl)cc1
InChIInChI=1S/C11H11ClO2S/c1-14-11(13)10-6-9(10)7-2-4-8(15-12)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeyICKKXGMABNXZEF-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.21
Rot. Bonds3

About methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate

methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate (PubChem CID 156652998) has the molecular formula C11H11ClO2S and a molecular weight of 242.73 g/mol. Its IUPAC name is methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate
PubChem CID156652998
Molecular FormulaC11H11ClO2S
Molecular Weight242.73 g/mol
Exact Mass242.02
IUPAC Namemethyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccc(SCl)cc1
InChIInChI=1S/C11H11ClO2S/c1-14-11(13)10-6-9(10)7-2-4-8(15-12)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeyICKKXGMABNXZEF-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1S,2S)-2-(4-aminophenyl)cyclopropane-1-carboxylate
CID 124585525
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate
CID 59369268
methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
CID 87712134
methyl 2-[4-(2-chloroacetyl)phenyl]cyclopropane-1-carboxylate
CID 141133244
trans-methyl (1S,2S)-2-(4-cyanophenyl)cyclopropane-1-carboxylate
CID 132565923
trans-methyl (1S,2S)-2-(4-ethynylphenyl)cyclopropane-1-carboxylate
CID 124564799
trans-methyl (1S,2S)-2-[4-(dimethoxymethyl)phenyl]cyclopropane-1-carboxylate
CID 72544165
methyl 2-[4-(bromomethoxy)phenyl]cyclopropane-1-carboxylate
CID 172729107
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
dimethyl (1R,4S,5R,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 10616838

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate (CID 156652998) is methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate is COC(=O)C1CC1c1ccc(SCl)cc1.
What is the InChIKey of methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate?
The InChIKey is ICKKXGMABNXZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S/c1-14-11(13)10-6-9(10)7-2-4-8(15-12)5-3-7/h2-5,9-10H,6H2,1H3.
What are the key properties of methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate?
methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate has a molecular weight of 242.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 156652998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).