1-(4-chlorophenyl)-2-morpholin-4-ylethanethione

C12H14ClNOS — CID 141307432

IUPAC1-(4-chlorophenyl)-2-morpholin-4-ylethanethione
SMILESS=C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12(16)9-14-5-7-15-8-6-14/h1-4H,5-9H2
InChIKeyIWBXLXQBGFWITE-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione

1-(4-chlorophenyl)-2-morpholin-4-ylethanethione (PubChem CID 141307432) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-morpholin-4-ylethanethione
PubChem CID141307432
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name1-(4-chlorophenyl)-2-morpholin-4-ylethanethione
SMILESS=C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12(16)9-14-5-7-15-8-6-14/h1-4H,5-9H2
InChIKeyIWBXLXQBGFWITE-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
1-(4-chlorophenyl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55496271
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
CID 88823559
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
CID 138397986
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 164862221
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
CID 141051954

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione?
The IUPAC name of 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione (CID 141307432) is 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione.
What is the SMILES notation for 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione?
The canonical SMILES for 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione is S=C(CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione?
The InChIKey is IWBXLXQBGFWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12(16)9-14-5-7-15-8-6-14/h1-4H,5-9H2.
What are the key properties of 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione?
1-(4-chlorophenyl)-2-morpholin-4-ylethanethione has a molecular weight of 255.77 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-morpholin-4-ylethanethione is sourced from PubChem (CID 141307432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).