diphenylmethanethione;pyrrolidine

C17H19NS — CID 175544055

IUPACdiphenylmethanethione;pyrrolidine
SMILESC1CCNC1.S=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10S.C4H9N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;5H,1-4H2
InChIKeyBIHGDSHFUCTJAW-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.82
Rot. Bonds2

About diphenylmethanethione;pyrrolidine

diphenylmethanethione;pyrrolidine (PubChem CID 175544055) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is diphenylmethanethione;pyrrolidine.

Molecular Properties

Compound Namediphenylmethanethione;pyrrolidine
PubChem CID175544055
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Namediphenylmethanethione;pyrrolidine
SMILESC1CCNC1.S=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10S.C4H9N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;5H,1-4H2
InChIKeyBIHGDSHFUCTJAW-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanethione;pyrrolidine?
The IUPAC name of diphenylmethanethione;pyrrolidine (CID 175544055) is diphenylmethanethione;pyrrolidine.
What is the SMILES notation for diphenylmethanethione;pyrrolidine?
The canonical SMILES for diphenylmethanethione;pyrrolidine is C1CCNC1.S=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanethione;pyrrolidine?
The InChIKey is BIHGDSHFUCTJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.C4H9N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;5H,1-4H2.
What are the key properties of diphenylmethanethione;pyrrolidine?
diphenylmethanethione;pyrrolidine has a molecular weight of 269.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanethione;pyrrolidine is sourced from PubChem (CID 175544055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).