2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol

C10H12Cl2OS — CID 115659330

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2OS/c1-7(5-13)14-6-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyIWXIROIBYILYTP-UHFFFAOYSA-N
MW251.18 g/mol
LogP3.61
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol

2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol (PubChem CID 115659330) has the molecular formula C10H12Cl2OS and a molecular weight of 251.18 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
PubChem CID115659330
Molecular FormulaC10H12Cl2OS
Molecular Weight251.18 g/mol
Exact Mass250.00
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2OS/c1-7(5-13)14-6-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyIWXIROIBYILYTP-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol
CID 106865510
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
3-[(2,3-dichlorophenyl)methylsulfanyl]butan-1-ol
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2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-ol
CID 115659543
2-(2-amino-3-chlorophenyl)sulfanylpropan-1-ol
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3-chloro-2-(3-methylbutan-2-ylsulfanylmethyl)aniline
CID 107748650
2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 115659346
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propan-1-ol
CID 112695464
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol (CID 115659330) is 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol is CC(CO)SCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol?
The InChIKey is IWXIROIBYILYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2OS/c1-7(5-13)14-6-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol?
2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol has a molecular weight of 251.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 115659330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).