(4-chloro-2-methylsulfinylphenyl)methanamine

C8H10ClNOS — CID 68917399

IUPAC(4-chloro-2-methylsulfinylphenyl)methanamine
SMILESCS(=O)c1cc(Cl)ccc1CN
InChIInChI=1S/C8H10ClNOS/c1-12(11)8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyVEBGOJORAUZOSG-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.54
Rot. Bonds2

About (4-chloro-2-methylsulfinylphenyl)methanamine

(4-chloro-2-methylsulfinylphenyl)methanamine (PubChem CID 68917399) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is (4-chloro-2-methylsulfinylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methylsulfinylphenyl)methanamine
PubChem CID68917399
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name(4-chloro-2-methylsulfinylphenyl)methanamine
SMILESCS(=O)c1cc(Cl)ccc1CN
InChIInChI=1S/C8H10ClNOS/c1-12(11)8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyVEBGOJORAUZOSG-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140984936
2-bromo-4-chloro-1-methylsulfinylbenzene
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[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
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2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
CID 151068715
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
4-chloro-2-ethylbenzenediazonium
CID 88574600
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
4-chloro-2-[(2-chloro-4-methylphenyl)methylsulfinyl]aniline
CID 106870993
4-chloro-2-propylsulfinylaniline
CID 81180931
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylsulfinylphenyl)methanamine?
The IUPAC name of (4-chloro-2-methylsulfinylphenyl)methanamine (CID 68917399) is (4-chloro-2-methylsulfinylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methylsulfinylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-methylsulfinylphenyl)methanamine is CS(=O)c1cc(Cl)ccc1CN.
What is the InChIKey of (4-chloro-2-methylsulfinylphenyl)methanamine?
The InChIKey is VEBGOJORAUZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-12(11)8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-chloro-2-methylsulfinylphenyl)methanamine?
(4-chloro-2-methylsulfinylphenyl)methanamine has a molecular weight of 203.69 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylsulfinylphenyl)methanamine is sourced from PubChem (CID 68917399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).