(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine

C4Cl2N4S4 — CID 86278817

IUPAC(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine
SMILESClc1nss/c1=N/N=c1/ssnc1Cl
InChIInChI=1S/C4Cl2N4S4/c5-1-3(11-13-9-1)7-8-4-2(6)10-14-12-4/b7-3+,8-4+
InChIKeyYZVAGWJLOIUTBO-FCXRPNKRSA-N
MW303.25 g/mol
LogP2.45
Rot. Bonds1

About (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine

(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine (PubChem CID 86278817) has the molecular formula C4Cl2N4S4 and a molecular weight of 303.25 g/mol. Its IUPAC name is (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine.

Molecular Properties

Compound Name(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine
PubChem CID86278817
Molecular FormulaC4Cl2N4S4
Molecular Weight303.25 g/mol
Exact Mass301.84
IUPAC Name(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine
SMILESClc1nss/c1=N/N=c1/ssnc1Cl
InChIInChI=1S/C4Cl2N4S4/c5-1-3(11-13-9-1)7-8-4-2(6)10-14-12-4/b7-3+,8-4+
InChIKeyYZVAGWJLOIUTBO-FCXRPNKRSA-N
XLogP2.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine?
The IUPAC name of (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine (CID 86278817) is (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine.
What is the SMILES notation for (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine?
The canonical SMILES for (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine is Clc1nss/c1=N/N=c1/ssnc1Cl.
What is the InChIKey of (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine?
The InChIKey is YZVAGWJLOIUTBO-FCXRPNKRSA-N. The full InChI is InChI=1S/C4Cl2N4S4/c5-1-3(11-13-9-1)7-8-4-2(6)10-14-12-4/b7-3+,8-4+.
What are the key properties of (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine?
(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine has a molecular weight of 303.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine is sourced from PubChem (CID 86278817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).