2-(2-chloroprop-2-enylsulfanyl)propan-1-amine

C6H12ClNS — CID 66242695

IUPAC2-(2-chloroprop-2-enylsulfanyl)propan-1-amine
SMILESC=C(Cl)CSC(C)CN
InChIInChI=1S/C6H12ClNS/c1-5(7)4-9-6(2)3-8/h6H,1,3-4,8H2,2H3
InChIKeySHMKENGXAGASKF-UHFFFAOYSA-N
MW165.69 g/mol
LogP1.82
Rot. Bonds4

About 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine

2-(2-chloroprop-2-enylsulfanyl)propan-1-amine (PubChem CID 66242695) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylsulfanyl)propan-1-amine
PubChem CID66242695
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2-(2-chloroprop-2-enylsulfanyl)propan-1-amine
SMILESC=C(Cl)CSC(C)CN
InChIInChI=1S/C6H12ClNS/c1-5(7)4-9-6(2)3-8/h6H,1,3-4,8H2,2H3
InChIKeySHMKENGXAGASKF-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine?
The IUPAC name of 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine (CID 66242695) is 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine is C=C(Cl)CSC(C)CN.
What is the InChIKey of 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine?
The InChIKey is SHMKENGXAGASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNS/c1-5(7)4-9-6(2)3-8/h6H,1,3-4,8H2,2H3.
What are the key properties of 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine?
2-(2-chloroprop-2-enylsulfanyl)propan-1-amine has a molecular weight of 165.69 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enylsulfanyl)propan-1-amine is sourced from PubChem (CID 66242695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).