(4S)-4-(4-chlorophenyl)azetidine-2-thione

C9H8ClNS — CID 102306093

IUPAC(4S)-4-(4-chlorophenyl)azetidine-2-thione
SMILESS=C1C[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClNS/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)/t8-/m0/s1
InChIKeyKAOLGXGULJKIID-QMMMGPOBSA-N
MW197.69 g/mol
LogP2.70
Rot. Bonds1

About (4S)-4-(4-chlorophenyl)azetidine-2-thione

(4S)-4-(4-chlorophenyl)azetidine-2-thione (PubChem CID 102306093) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)azetidine-2-thione.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)azetidine-2-thione
PubChem CID102306093
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name(4S)-4-(4-chlorophenyl)azetidine-2-thione
SMILESS=C1C[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClNS/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)/t8-/m0/s1
InChIKeyKAOLGXGULJKIID-QMMMGPOBSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
6-(4-chlorophenyl)diazinan-3-one
CID 139782184
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
4,6-bis(4-chlorophenyl)-1,3,5-triazinane-2-thione
CID 13127002
2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3430415
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
CID 59098195
4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine
CID 597030
8-(4-chlorophenyl)azocan-2-one
CID 165492296

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)azetidine-2-thione?
The IUPAC name of (4S)-4-(4-chlorophenyl)azetidine-2-thione (CID 102306093) is (4S)-4-(4-chlorophenyl)azetidine-2-thione.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)azetidine-2-thione?
The canonical SMILES for (4S)-4-(4-chlorophenyl)azetidine-2-thione is S=C1C[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)azetidine-2-thione?
The InChIKey is KAOLGXGULJKIID-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8ClNS/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)azetidine-2-thione?
(4S)-4-(4-chlorophenyl)azetidine-2-thione has a molecular weight of 197.69 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)azetidine-2-thione is sourced from PubChem (CID 102306093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).