(E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol

C8H8S2 — CID 169409278

IUPAC(E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol
SMILESS/C=c1\cccc\c1=C/S
InChIInChI=1S/C8H8S2/c9-5-7-3-1-2-4-8(7)6-10/h1-6,9-10H/b7-5+,8-6+
InChIKeyIUBWVVISNVQFPT-KQQUZDAGSA-N
MW168.29 g/mol
LogP1.02
Rot. Bonds

About (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol

(E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol (PubChem CID 169409278) has the molecular formula C8H8S2 and a molecular weight of 168.29 g/mol. Its IUPAC name is (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol.

Molecular Properties

Compound Name(E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol
PubChem CID169409278
Molecular FormulaC8H8S2
Molecular Weight168.29 g/mol
Exact Mass168.01
IUPAC Name(E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol
SMILESS/C=c1\cccc\c1=C/S
InChIInChI=1S/C8H8S2/c9-5-7-3-1-2-4-8(7)6-10/h1-6,9-10H/b7-5+,8-6+
InChIKeyIUBWVVISNVQFPT-KQQUZDAGSA-N
XLogP1.02
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol?
The IUPAC name of (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol (CID 169409278) is (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol.
What is the SMILES notation for (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol?
The canonical SMILES for (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol is S/C=c1\cccc\c1=C/S.
What is the InChIKey of (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol?
The InChIKey is IUBWVVISNVQFPT-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H8S2/c9-5-7-3-1-2-4-8(7)6-10/h1-6,9-10H/b7-5+,8-6+.
What are the key properties of (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol?
(E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol has a molecular weight of 168.29 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(6E)-6-(sulfanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methanethiol is sourced from PubChem (CID 169409278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).