(4-chlorophenyl)-phenylselanylmethanethione

C13H9ClSSe — CID 14249100

IUPAC(4-chlorophenyl)-phenylselanylmethanethione
SMILESS=C([Se]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClSSe/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H
InChIKeyNLCMGJKPCFMJCW-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.05
Rot. Bonds3

About (4-chlorophenyl)-phenylselanylmethanethione

(4-chlorophenyl)-phenylselanylmethanethione (PubChem CID 14249100) has the molecular formula C13H9ClSSe and a molecular weight of 311.70 g/mol. Its IUPAC name is (4-chlorophenyl)-phenylselanylmethanethione.

Molecular Properties

Compound Name(4-chlorophenyl)-phenylselanylmethanethione
PubChem CID14249100
Molecular FormulaC13H9ClSSe
Molecular Weight311.70 g/mol
Exact Mass311.93
IUPAC Name(4-chlorophenyl)-phenylselanylmethanethione
SMILESS=C([Se]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClSSe/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H
InChIKeyNLCMGJKPCFMJCW-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-phenylethanethione
CID 87616376
1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
CID 11337041
1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
CID 134932145
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
benzene;chlorobenzene
CID 159657667
1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene
CID 151338650
chlorobenzene;methanol
CID 20549646
1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
CID 6509575
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
CID 134977772
4-chloro(13C)benzoic acid
CID 66995527
bismuthane;chlorobenzene
CID 174535973

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-phenylselanylmethanethione?
The IUPAC name of (4-chlorophenyl)-phenylselanylmethanethione (CID 14249100) is (4-chlorophenyl)-phenylselanylmethanethione.
What is the SMILES notation for (4-chlorophenyl)-phenylselanylmethanethione?
The canonical SMILES for (4-chlorophenyl)-phenylselanylmethanethione is S=C([Se]c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-phenylselanylmethanethione?
The InChIKey is NLCMGJKPCFMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClSSe/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H.
What are the key properties of (4-chlorophenyl)-phenylselanylmethanethione?
(4-chlorophenyl)-phenylselanylmethanethione has a molecular weight of 311.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenylselanylmethanethione is sourced from PubChem (CID 14249100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).