1-tert-butyl-3-chlorobenzene;sulfuryl dichloride

C10H13Cl3O2S — CID 174401484

IUPAC1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
SMILESCC(C)(C)c1cccc(Cl)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H13Cl.Cl2O2S/c1-10(2,3)8-5-4-6-9(11)7-8;1-5(2,3)4/h4-7H,1-3H3;
InChIKeyBAZWPEVWJWUKRE-UHFFFAOYSA-N
MW303.64 g/mol
LogP4.35
Rot. Bonds

About 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride

1-tert-butyl-3-chlorobenzene;sulfuryl dichloride (PubChem CID 174401484) has the molecular formula C10H13Cl3O2S and a molecular weight of 303.64 g/mol. Its IUPAC name is 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
PubChem CID174401484
Molecular FormulaC10H13Cl3O2S
Molecular Weight303.64 g/mol
Exact Mass301.97
IUPAC Name1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
SMILESCC(C)(C)c1cccc(Cl)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H13Cl.Cl2O2S/c1-10(2,3)8-5-4-6-9(11)7-8;1-5(2,3)4/h4-7H,1-3H3;
InChIKeyBAZWPEVWJWUKRE-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156883526
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CID 115046431
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
1-chloro-3-tritylbenzene
CID 14737306
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
alumane;1,3-ditert-butylbenzene
CID 174392215
1-(4-bromo-2-methylpentan-2-yl)-3-chlorobenzene
CID 64718125
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 110446078

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride?
The IUPAC name of 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride (CID 174401484) is 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride.
What is the SMILES notation for 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride?
The canonical SMILES for 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride is CC(C)(C)c1cccc(Cl)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride?
The InChIKey is BAZWPEVWJWUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.Cl2O2S/c1-10(2,3)8-5-4-6-9(11)7-8;1-5(2,3)4/h4-7H,1-3H3;.
What are the key properties of 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride?
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride has a molecular weight of 303.64 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chlorobenzene;sulfuryl dichloride is sourced from PubChem (CID 174401484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).