(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine

C9H11Cl2NS — CID 104889169

IUPAC(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
SMILESC[C@@H](N)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NS/c1-6(12)5-13-9-4-7(10)2-3-8(9)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1
InChIKeyBSIHZWCZDXRWOO-ZCFIWIBFSA-N
MW236.17 g/mol
LogP3.43
Rot. Bonds3

About (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine

(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine (PubChem CID 104889169) has the molecular formula C9H11Cl2NS and a molecular weight of 236.17 g/mol. Its IUPAC name is (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
PubChem CID104889169
Molecular FormulaC9H11Cl2NS
Molecular Weight236.17 g/mol
Exact Mass235.00
IUPAC Name(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
SMILESC[C@@H](N)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NS/c1-6(12)5-13-9-4-7(10)2-3-8(9)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1
InChIKeyBSIHZWCZDXRWOO-ZCFIWIBFSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine
CID 66218948
1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
CID 64621822
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
6-(2,5-dichlorophenyl)sulfanylhexan-3-amine
CID 106808220
(1S)-1-[3-chloro-4-(2,5-dichlorophenyl)sulfanylphenyl]ethanamine
CID 78944427
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719
N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
CID 62685895
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
4-[1-(2,5-dichlorophenyl)sulfanylethyl]aniline
CID 61263164
methyl 3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-2-methylpropanoate
CID 66115350
2-acetamido-3-(2,5-dichlorophenyl)sulfanylpropanoic acid
CID 64583085

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine (CID 104889169) is (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine is C[C@@H](N)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
The InChIKey is BSIHZWCZDXRWOO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11Cl2NS/c1-6(12)5-13-9-4-7(10)2-3-8(9)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine?
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine has a molecular weight of 236.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 104889169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).