1-(1-chloropropylsulfanyl)-4-methoxybenzene

C10H13ClOS — CID 67755677

IUPAC1-(1-chloropropylsulfanyl)-4-methoxybenzene
SMILESCCC(Cl)Sc1ccc(OC)cc1
InChIInChI=1S/C10H13ClOS/c1-3-10(11)13-9-6-4-8(12-2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyFOWCPLKVWCNOBZ-UHFFFAOYSA-N
MW216.73 g/mol
LogP3.76
Rot. Bonds4

About 1-(1-chloropropylsulfanyl)-4-methoxybenzene

1-(1-chloropropylsulfanyl)-4-methoxybenzene (PubChem CID 67755677) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 1-(1-chloropropylsulfanyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-chloropropylsulfanyl)-4-methoxybenzene
PubChem CID67755677
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name1-(1-chloropropylsulfanyl)-4-methoxybenzene
SMILESCCC(Cl)Sc1ccc(OC)cc1
InChIInChI=1S/C10H13ClOS/c1-3-10(11)13-9-6-4-8(12-2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyFOWCPLKVWCNOBZ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(1-chloropropylsulfanyl)benzene
CID 10036440
2-(4-methoxyphenyl)sulfanylpentan-3-one
CID 60973114
2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine
CID 64619962
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
CID 3045430
[(4-methoxyphenyl)sulfanyl-phosphonomethyl]phosphonic acid
CID 18515645
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
3-amino-2-(4-methoxyphenyl)sulfanyl-4-methylpentan-1-ol
CID 114370119
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid
CID 129386650
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropylsulfanyl)-4-methoxybenzene?
The IUPAC name of 1-(1-chloropropylsulfanyl)-4-methoxybenzene (CID 67755677) is 1-(1-chloropropylsulfanyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-chloropropylsulfanyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-chloropropylsulfanyl)-4-methoxybenzene is CCC(Cl)Sc1ccc(OC)cc1.
What is the InChIKey of 1-(1-chloropropylsulfanyl)-4-methoxybenzene?
The InChIKey is FOWCPLKVWCNOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-3-10(11)13-9-6-4-8(12-2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of 1-(1-chloropropylsulfanyl)-4-methoxybenzene?
1-(1-chloropropylsulfanyl)-4-methoxybenzene has a molecular weight of 216.73 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropylsulfanyl)-4-methoxybenzene is sourced from PubChem (CID 67755677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).