(benzhydrylidene-λ4-sulfanylidene)methanamine

C14H13NS — CID 140620164

IUPAC(benzhydrylidene-λ4-sulfanylidene)methanamine
SMILESNC=S=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NS/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,15H2
InChIKeySYQSHSJILCKEHJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.71
Rot. Bonds2

About (benzhydrylidene-λ4-sulfanylidene)methanamine

(benzhydrylidene-λ4-sulfanylidene)methanamine (PubChem CID 140620164) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is (benzhydrylidene-λ4-sulfanylidene)methanamine.

Molecular Properties

Compound Name(benzhydrylidene-λ4-sulfanylidene)methanamine
PubChem CID140620164
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name(benzhydrylidene-λ4-sulfanylidene)methanamine
SMILESNC=S=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NS/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,15H2
InChIKeySYQSHSJILCKEHJ-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 (benzhydrylidene-λ4-sulfanylidene)methanamine?
The IUPAC name of (benzhydrylidene-λ4-sulfanylidene)methanamine (CID 140620164) is (benzhydrylidene-λ4-sulfanylidene)methanamine.
What is the SMILES notation for (benzhydrylidene-λ4-sulfanylidene)methanamine?
The canonical SMILES for (benzhydrylidene-λ4-sulfanylidene)methanamine is NC=S=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (benzhydrylidene-λ4-sulfanylidene)methanamine?
The InChIKey is SYQSHSJILCKEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,15H2.
What are the key properties of (benzhydrylidene-λ4-sulfanylidene)methanamine?
(benzhydrylidene-λ4-sulfanylidene)methanamine has a molecular weight of 227.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylidene-λ4-sulfanylidene)methanamine is sourced from PubChem (CID 140620164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).