2-(3-chloroprop-2-enylsulfanyl)ethanamine

C5H10ClNS — CID 74314460

IUPAC2-(3-chloroprop-2-enylsulfanyl)ethanamine
SMILESNCCSCC=CCl
InChIInChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2
InChIKeyFXGCEOSCKPBHFC-UHFFFAOYSA-N
MW151.66 g/mol
LogP1.43
Rot. Bonds4

About 2-(3-chloroprop-2-enylsulfanyl)ethanamine

2-(3-chloroprop-2-enylsulfanyl)ethanamine (PubChem CID 74314460) has the molecular formula C5H10ClNS and a molecular weight of 151.66 g/mol. Its IUPAC name is 2-(3-chloroprop-2-enylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloroprop-2-enylsulfanyl)ethanamine
PubChem CID74314460
Molecular FormulaC5H10ClNS
Molecular Weight151.66 g/mol
Exact Mass151.02
IUPAC Name2-(3-chloroprop-2-enylsulfanyl)ethanamine
SMILESNCCSCC=CCl
InChIInChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2
InChIKeyFXGCEOSCKPBHFC-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine
CID 20495465
2-(2-Chloroprop-2-enylsulfanyl)ethanamine
CID 24702605
2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine
CID 24704936
2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine hydrochloride
CID 47002380
3-[(Z)-3-chloroprop-2-enyl]sulfanylpropan-1-amine
CID 58684080
2-[(Z)-3-chloroprop-2-enyl]sulfanylethanamine
CID 58684116
3-[(E)-3-chloroprop-2-enyl]sulfanylpropan-1-amine
CID 58684227
3-(4-Chlorocyclobut-2-en-1-yl)sulfanylpropan-1-amine
CID 58684256
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303
3-(2-Chloroprop-2-enylsulfanyl)propan-1-amine
CID 58684444
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine
CID 58684534

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-2-enylsulfanyl)ethanamine?
The IUPAC name of 2-(3-chloroprop-2-enylsulfanyl)ethanamine (CID 74314460) is 2-(3-chloroprop-2-enylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-chloroprop-2-enylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-chloroprop-2-enylsulfanyl)ethanamine is NCCSCC=CCl.
What is the InChIKey of 2-(3-chloroprop-2-enylsulfanyl)ethanamine?
The InChIKey is FXGCEOSCKPBHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2.
What are the key properties of 2-(3-chloroprop-2-enylsulfanyl)ethanamine?
2-(3-chloroprop-2-enylsulfanyl)ethanamine has a molecular weight of 151.66 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-2-enylsulfanyl)ethanamine is sourced from PubChem (CID 74314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).