1-chloro-3-propan-2-ylsulfanylbenzene

C9H11ClS — CID 12763281

IUPAC1-chloro-3-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1cccc(Cl)c1
InChIInChI=1S/C9H11ClS/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChIKeyIRFZMQFCTLYYHF-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.84
Rot. Bonds2

About 1-chloro-3-propan-2-ylsulfanylbenzene

1-chloro-3-propan-2-ylsulfanylbenzene (PubChem CID 12763281) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylsulfanylbenzene
PubChem CID12763281
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name1-chloro-3-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1cccc(Cl)c1
InChIInChI=1S/C9H11ClS/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChIKeyIRFZMQFCTLYYHF-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(1,1-dimethoxypropan-2-ylsulfanyl)benzene
CID 165440459
1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
3-(3-chlorophenyl)sulfanylpentan-1-amine
CID 62645784
1,2-dichloro-4-propan-2-ylsulfanylbenzene
CID 59882028
2-amino-2-(3-chlorophenyl)sulfanylethanol
CID 117034655
2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene
CID 126991034
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 95318510
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylsulfanylbenzene?
The IUPAC name of 1-chloro-3-propan-2-ylsulfanylbenzene (CID 12763281) is 1-chloro-3-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-chloro-3-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1-chloro-3-propan-2-ylsulfanylbenzene is CC(C)Sc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-propan-2-ylsulfanylbenzene?
The InChIKey is IRFZMQFCTLYYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3.
What are the key properties of 1-chloro-3-propan-2-ylsulfanylbenzene?
1-chloro-3-propan-2-ylsulfanylbenzene has a molecular weight of 186.71 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 12763281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).