1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine

C6H11Cl2NS — CID 79173660

IUPAC1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
SMILESCC(N)CSCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NS/c1-5(9)3-10-4-6(8)2-7/h2,5H,3-4,9H2,1H3
InChIKeyPOQJKMNKLRFCAN-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.39
Rot. Bonds4

About 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine

1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine (PubChem CID 79173660) has the molecular formula C6H11Cl2NS and a molecular weight of 200.13 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
PubChem CID79173660
Molecular FormulaC6H11Cl2NS
Molecular Weight200.13 g/mol
Exact Mass199.00
IUPAC Name1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
SMILESCC(N)CSCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NS/c1-5(9)3-10-4-6(8)2-7/h2,5H,3-4,9H2,1H3
InChIKeyPOQJKMNKLRFCAN-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine (CID 79173660) is 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine is CC(N)CSCC(Cl)=CCl.
What is the InChIKey of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
The InChIKey is POQJKMNKLRFCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NS/c1-5(9)3-10-4-6(8)2-7/h2,5H,3-4,9H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine has a molecular weight of 200.13 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine is sourced from PubChem (CID 79173660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).