(6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium

C8H10NS+ — CID 163565071

IUPAC(6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium
SMILESC=C1C=C/C(=N\C)C=C1[SH2+]
InChIInChI=1S/C8H9NS/c1-6-3-4-7(9-2)5-8(6)10/h3-5,10H,1H2,2H3/p+1/b9-7+
InChIKeyFUMQMUBTPRRAPG-VQHVLOKHSA-O
MW152.24 g/mol
LogP1.08
Rot. Bonds

About (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium

(6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium (PubChem CID 163565071) has the molecular formula C8H10NS+ and a molecular weight of 152.24 g/mol. Its IUPAC name is (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium.

Molecular Properties

Compound Name(6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium
PubChem CID163565071
Molecular FormulaC8H10NS+
Molecular Weight152.24 g/mol
Exact Mass152.05
IUPAC Name(6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium
SMILESC=C1C=C/C(=N\C)C=C1[SH2+]
InChIInChI=1S/C8H9NS/c1-6-3-4-7(9-2)5-8(6)10/h3-5,10H,1H2,2H3/p+1/b9-7+
InChIKeyFUMQMUBTPRRAPG-VQHVLOKHSA-O
XLogP1.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
2-Methylindolethiol
CID 129741743
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
CID 59057512
N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 66781145
(6Z)-6-ethylidene-N-methylcyclohexa-2,4-dien-1-imine
CID 70313547
(3Z)-N,5-dimethylhexa-3,5-dien-2-imine
CID 89076855
(6Z)-6-[(E)-but-2-enylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 89324121
(3Z)-N-ethyl-4-methylhexa-3,5-dien-2-imine
CID 89469233
(4Z)-N,5-dimethylhepta-1,4,6-trien-3-imine
CID 89864197

Frequently Asked Questions

What is the IUPAC name of (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium?
The IUPAC name of (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium (CID 163565071) is (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium.
What is the SMILES notation for (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium?
The canonical SMILES for (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium is C=C1C=C/C(=N\C)C=C1[SH2+].
What is the InChIKey of (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium?
The InChIKey is FUMQMUBTPRRAPG-VQHVLOKHSA-O. The full InChI is InChI=1S/C8H9NS/c1-6-3-4-7(9-2)5-8(6)10/h3-5,10H,1H2,2H3/p+1/b9-7+.
What are the key properties of (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium?
(6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium has a molecular weight of 152.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium is sourced from PubChem (CID 163565071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).