1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol

C10H14ClNOS — CID 60884003

IUPAC1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(N)cc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(2,13)6-14-9-4-3-7(12)5-8(9)11/h3-5,13H,6,12H2,1-2H3
InChIKeyYSRICOSWFQWOPG-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol

1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol (PubChem CID 60884003) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
PubChem CID60884003
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(N)cc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(2,13)6-14-9-4-3-7(12)5-8(9)11/h3-5,13H,6,12H2,1-2H3
InChIKeyYSRICOSWFQWOPG-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-amino-2-chlorophenyl)sulfanyl-2,2-dimethylpropanoate
CID 79629629
3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
4-butylsulfanyl-3-chloroaniline
CID 43305432
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
CID 62229037
3-chloro-4-(4-methylpentylsulfanyl)aniline
CID 83159114
6-(4-amino-2-chlorophenyl)sulfanyl-2,2-dimethylhexanenitrile
CID 106712533
3-chloro-4-(3-ethylsulfanylpropylsulfanyl)aniline
CID 115875560
N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
4-[(3-aminophenyl)methylsulfanyl]-3-chloroaniline
CID 113274190
(4-amino-2-chlorophenyl) thiohypofluorite
CID 144675924
3-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626603

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol (CID 60884003) is 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol is CC(C)(O)CSc1ccc(N)cc1Cl.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is YSRICOSWFQWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(2,13)6-14-9-4-3-7(12)5-8(9)11/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 231.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 60884003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).