[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol

C10H10Cl4S4 — CID 141299095

IUPAC[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol
SMILESSCSCc1c(Cl)c(Cl)c(Cl)c(Cl)c1CSCS
InChIInChI=1S/C10H10Cl4S4/c11-7-5(1-17-3-15)6(2-18-4-16)8(12)10(14)9(7)13/h15-16H,1-4H2
InChIKeyNDTYRNSZDVPQKL-UHFFFAOYSA-N
MW400.27 g/mol
LogP6.54
Rot. Bonds6

About [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol

[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol (PubChem CID 141299095) has the molecular formula C10H10Cl4S4 and a molecular weight of 400.27 g/mol. Its IUPAC name is [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol.

Molecular Properties

Compound Name[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol
PubChem CID141299095
Molecular FormulaC10H10Cl4S4
Molecular Weight400.27 g/mol
Exact Mass397.84
IUPAC Name[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol
SMILESSCSCc1c(Cl)c(Cl)c(Cl)c(Cl)c1CSCS
InChIInChI=1S/C10H10Cl4S4/c11-7-5(1-17-3-15)6(2-18-4-16)8(12)10(14)9(7)13/h15-16H,1-4H2
InChIKeyNDTYRNSZDVPQKL-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol?
The IUPAC name of [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol (CID 141299095) is [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol.
What is the SMILES notation for [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol?
The canonical SMILES for [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol is SCSCc1c(Cl)c(Cl)c(Cl)c(Cl)c1CSCS.
What is the InChIKey of [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol?
The InChIKey is NDTYRNSZDVPQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl4S4/c11-7-5(1-17-3-15)6(2-18-4-16)8(12)10(14)9(7)13/h15-16H,1-4H2.
What are the key properties of [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol?
[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol has a molecular weight of 400.27 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol is sourced from PubChem (CID 141299095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).