(5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate

C10H10Cl2O3S — CID 172620919

IUPAC(5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate
SMILESCOc1c(COC(C)=O)cc(Cl)cc1SCl
InChIInChI=1S/C10H10Cl2O3S/c1-6(13)15-5-7-3-8(11)4-9(16-12)10(7)14-2/h3-4H,5H2,1-2H3
InChIKeyMWAIDLVYQJZELW-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.66
Rot. Bonds4

About (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate

(5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate (PubChem CID 172620919) has the molecular formula C10H10Cl2O3S and a molecular weight of 281.16 g/mol. Its IUPAC name is (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate.

Molecular Properties

Compound Name(5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate
PubChem CID172620919
Molecular FormulaC10H10Cl2O3S
Molecular Weight281.16 g/mol
Exact Mass279.97
IUPAC Name(5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate
SMILESCOc1c(COC(C)=O)cc(Cl)cc1SCl
InChIInChI=1S/C10H10Cl2O3S/c1-6(13)15-5-7-3-8(11)4-9(16-12)10(7)14-2/h3-4H,5H2,1-2H3
InChIKeyMWAIDLVYQJZELW-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enyl] acetate
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3-Chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
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5-Chloro-4-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
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Methyl 7-chloro-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxylate
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(5-Chloro-2-methoxyphenyl)methyl acetate
CID 57718435
5-Chloro-2,3-dihydro-1-benzofuran-7-thiol
CID 104546164
(5-Chloro-2-methoxy-3-sulfanylphenyl)methanol
CID 134260547
5-Chloro-3-(chlorosulfonyl)-2-methoxybenzyl acetate
CID 138675847
3-(Acetyloxy)-5-chloro-2,3-dihydro-7-benzofuransulfonyl chloride
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(3-Benzylsulfanyl-5-chloro-2-methoxyphenyl)methyl acetate
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(5-Chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate?
The IUPAC name of (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate (CID 172620919) is (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate.
What is the SMILES notation for (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate?
The canonical SMILES for (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate is COc1c(COC(C)=O)cc(Cl)cc1SCl.
What is the InChIKey of (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate?
The InChIKey is MWAIDLVYQJZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3S/c1-6(13)15-5-7-3-8(11)4-9(16-12)10(7)14-2/h3-4H,5H2,1-2H3.
What are the key properties of (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate?
(5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate has a molecular weight of 281.16 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate is sourced from PubChem (CID 172620919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).