6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane

C13H14S — CID 145149614

IUPAC6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane
SMILESC=C1C=C(c2ccccc2)C=CC1.S
InChIInChI=1S/C13H12.H2S/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;/h2-5,7-10H,1,6H2;1H2
InChIKeyUKQMFWNTFUVSJZ-UHFFFAOYSA-N
MW202.32 g/mol
LogP3.70
Rot. Bonds1

About 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane

6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane (PubChem CID 145149614) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane.

Molecular Properties

Compound Name6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane
PubChem CID145149614
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane
SMILESC=C1C=C(c2ccccc2)C=CC1.S
InChIInChI=1S/C13H12.H2S/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;/h2-5,7-10H,1,6H2;1H2
InChIKeyUKQMFWNTFUVSJZ-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane with MolForge

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

Launch Full Analysis

Related Compounds

5-methylidene-2-(3-methylidenecyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene
CID 173128708
5-phenyl-2H-azepine
CID 139394542
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole
CID 142527185
2-methylidene-5-phenyl-3H-pyridine
CID 167214063
bis(1,1'-biphenyl);sulfane
CID 22247507
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
1,4-diphenylbenzene;1H-indene
CID 156634731
cyclobutadienylbenzene
CID 86042442
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
3-(3-fluorophenyl)cyclohexa-2,4-dien-1-one
CID 141217171
azulene;1H-indene
CID 160524105

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane?
The IUPAC name of 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane (CID 145149614) is 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane.
What is the SMILES notation for 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane?
The canonical SMILES for 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane is C=C1C=C(c2ccccc2)C=CC1.S.
What is the InChIKey of 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane?
The InChIKey is UKQMFWNTFUVSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.H2S/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;/h2-5,7-10H,1,6H2;1H2.
What are the key properties of 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane?
6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane has a molecular weight of 202.32 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane is sourced from PubChem (CID 145149614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).