2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride

C10H14Cl3NS — CID 54592692

IUPAC2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride
SMILESCCC(CN)Sc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C10H13Cl2NS.ClH/c1-2-8(6-13)14-10-5-7(11)3-4-9(10)12;/h3-5,8H,2,6,13H2,1H3;1H
InChIKeyCVVDHGFXJLZGEE-UHFFFAOYSA-N
MW286.65 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride

2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride (PubChem CID 54592692) has the molecular formula C10H14Cl3NS and a molecular weight of 286.65 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride
PubChem CID54592692
Molecular FormulaC10H14Cl3NS
Molecular Weight286.65 g/mol
Exact Mass284.99
IUPAC Name2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride
SMILESCCC(CN)Sc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C10H13Cl2NS.ClH/c1-2-8(6-13)14-10-5-7(11)3-4-9(10)12;/h3-5,8H,2,6,13H2,1H3;1H
InChIKeyCVVDHGFXJLZGEE-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride (CID 54592692) is 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride is CCC(CN)Sc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride?
The InChIKey is CVVDHGFXJLZGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS.ClH/c1-2-8(6-13)14-10-5-7(11)3-4-9(10)12;/h3-5,8H,2,6,13H2,1H3;1H.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride?
2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride has a molecular weight of 286.65 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride is sourced from PubChem (CID 54592692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).