N-(4-bromophenyl)-4-chlorodithiazol-5-imine

C8H4BrClN2S2 — CID 715703

IUPACN-(4-bromophenyl)-4-chlorodithiazol-5-imine
SMILESClc1nss/c1=N/c1ccc(Br)cc1
InChIInChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+
InChIKeyLJAVWPXZZIDCAS-DHZHZOJOSA-N
MW307.63 g/mol
LogP3.85
Rot. Bonds1

About N-(4-bromophenyl)-4-chlorodithiazol-5-imine

N-(4-bromophenyl)-4-chlorodithiazol-5-imine (PubChem CID 715703) has the molecular formula C8H4BrClN2S2 and a molecular weight of 307.63 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-chlorodithiazol-5-imine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-chlorodithiazol-5-imine
PubChem CID715703
Molecular FormulaC8H4BrClN2S2
Molecular Weight307.63 g/mol
Exact Mass305.87
IUPAC NameN-(4-bromophenyl)-4-chlorodithiazol-5-imine
SMILESClc1nss/c1=N/c1ccc(Br)cc1
InChIInChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+
InChIKeyLJAVWPXZZIDCAS-DHZHZOJOSA-N
XLogP3.85
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-chlorodithiazol-5-imine?
The IUPAC name of N-(4-bromophenyl)-4-chlorodithiazol-5-imine (CID 715703) is N-(4-bromophenyl)-4-chlorodithiazol-5-imine.
What is the SMILES notation for N-(4-bromophenyl)-4-chlorodithiazol-5-imine?
The canonical SMILES for N-(4-bromophenyl)-4-chlorodithiazol-5-imine is Clc1nss/c1=N/c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-chlorodithiazol-5-imine?
The InChIKey is LJAVWPXZZIDCAS-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+.
What are the key properties of N-(4-bromophenyl)-4-chlorodithiazol-5-imine?
N-(4-bromophenyl)-4-chlorodithiazol-5-imine has a molecular weight of 307.63 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-chlorodithiazol-5-imine is sourced from PubChem (CID 715703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).