(Z)-N,1-bis(phenylsulfanyl)propan-2-imine

C15H15NS2 — CID 134935774

IUPAC(Z)-N,1-bis(phenylsulfanyl)propan-2-imine
SMILESC/C(CSc1ccccc1)=N/Sc1ccccc1
InChIInChI=1S/C15H15NS2/c1-13(12-17-14-8-4-2-5-9-14)16-18-15-10-6-3-7-11-15/h2-11H,12H2,1H3/b16-13-
InChIKeyDDOZYEIEFVDLOR-SSZFMOIBSA-N
MW273.43 g/mol
LogP4.95
Rot. Bonds5

About (Z)-N,1-bis(phenylsulfanyl)propan-2-imine

(Z)-N,1-bis(phenylsulfanyl)propan-2-imine (PubChem CID 134935774) has the molecular formula C15H15NS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is (Z)-N,1-bis(phenylsulfanyl)propan-2-imine.

Molecular Properties

Compound Name(Z)-N,1-bis(phenylsulfanyl)propan-2-imine
PubChem CID134935774
Molecular FormulaC15H15NS2
Molecular Weight273.43 g/mol
Exact Mass273.06
IUPAC Name(Z)-N,1-bis(phenylsulfanyl)propan-2-imine
SMILESC/C(CSc1ccccc1)=N/Sc1ccccc1
InChIInChI=1S/C15H15NS2/c1-13(12-17-14-8-4-2-5-9-14)16-18-15-10-6-3-7-11-15/h2-11H,12H2,1H3/b16-13-
InChIKeyDDOZYEIEFVDLOR-SSZFMOIBSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,1-bis(phenylsulfanyl)propan-2-imine?
The IUPAC name of (Z)-N,1-bis(phenylsulfanyl)propan-2-imine (CID 134935774) is (Z)-N,1-bis(phenylsulfanyl)propan-2-imine.
What is the SMILES notation for (Z)-N,1-bis(phenylsulfanyl)propan-2-imine?
The canonical SMILES for (Z)-N,1-bis(phenylsulfanyl)propan-2-imine is C/C(CSc1ccccc1)=N/Sc1ccccc1.
What is the InChIKey of (Z)-N,1-bis(phenylsulfanyl)propan-2-imine?
The InChIKey is DDOZYEIEFVDLOR-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H15NS2/c1-13(12-17-14-8-4-2-5-9-14)16-18-15-10-6-3-7-11-15/h2-11H,12H2,1H3/b16-13-.
What are the key properties of (Z)-N,1-bis(phenylsulfanyl)propan-2-imine?
(Z)-N,1-bis(phenylsulfanyl)propan-2-imine has a molecular weight of 273.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,1-bis(phenylsulfanyl)propan-2-imine is sourced from PubChem (CID 134935774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).