1-chloro-2-methyl-2-propan-2-ylsulfanylpropane

C7H15ClS — CID 130648512

IUPAC1-chloro-2-methyl-2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)(C)CCl
InChIInChI=1S/C7H15ClS/c1-6(2)9-7(3,4)5-8/h6H,5H2,1-4H3
InChIKeyJKHOIHJGYMYVLM-UHFFFAOYSA-N
MW166.72 g/mol
LogP3.15
Rot. Bonds3

About 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane

1-chloro-2-methyl-2-propan-2-ylsulfanylpropane (PubChem CID 130648512) has the molecular formula C7H15ClS and a molecular weight of 166.72 g/mol. Its IUPAC name is 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Name1-chloro-2-methyl-2-propan-2-ylsulfanylpropane
PubChem CID130648512
Molecular FormulaC7H15ClS
Molecular Weight166.72 g/mol
Exact Mass166.06
IUPAC Name1-chloro-2-methyl-2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)(C)CCl
InChIInChI=1S/C7H15ClS/c1-6(2)9-7(3,4)5-8/h6H,5H2,1-4H3
InChIKeyJKHOIHJGYMYVLM-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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3-chloro-2,2-dimethyl-N-(2-propan-2-ylsulfanylethyl)propanamide
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2-(trifluoromethylsulfanyl)propane
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1-chloro-2,2-dimethylpropane;zinc
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1,3-dichloro-2-methylbutan-2-ol
CID 55302434
2-ethyl-2-propan-2-ylsulfanylbutanoic acid
CID 61342372
tert-butyl-(3-chloropropyl)-propan-2-ylsilane
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1-chloro-2,2-dimethylpropane;iodomethane
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CID 176618001

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane?
The IUPAC name of 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane (CID 130648512) is 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane.
What is the SMILES notation for 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane?
The canonical SMILES for 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane is CC(C)SC(C)(C)CCl.
What is the InChIKey of 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane?
The InChIKey is JKHOIHJGYMYVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClS/c1-6(2)9-7(3,4)5-8/h6H,5H2,1-4H3.
What are the key properties of 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane?
1-chloro-2-methyl-2-propan-2-ylsulfanylpropane has a molecular weight of 166.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 130648512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).