4-methyl-2-phenyl-1,3-dithiolane

C10H12S2 — CID 21829

IUPAC4-methyl-2-phenyl-1,3-dithiolane
SMILESCC1CSC(c2ccccc2)S1
InChIInChI=1S/C10H12S2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyXVRIROCKGOEPAW-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.55
Rot. Bonds1

About 4-methyl-2-phenyl-1,3-dithiolane

4-methyl-2-phenyl-1,3-dithiolane (PubChem CID 21829) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-dithiolane.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-dithiolane
PubChem CID21829
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name4-methyl-2-phenyl-1,3-dithiolane
SMILESCC1CSC(c2ccccc2)S1
InChIInChI=1S/C10H12S2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyXVRIROCKGOEPAW-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Thiocyanate
CID 18170
Dibenzyl sulfide
CID 10867
Benzyl methyl disulfide
CID 12779
1-Phenylethanethiol
CID 141850
Benzyl methyl sulfide
CID 13016
Thiophene, tetrahydro-3-phenyl-, 1-oxide
CID 583027
2-Phenyl-1,3-dithiane
CID 21547
alpha-(Methylsulphinyl)toluene
CID 69991
Benzyl Chloromethyl Sulfide
CID 319930
4-Phenyl-3H-1,2-dithiole-3-thione
CID 76882
2-Phenyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 899873
Benzene, [(hexylsulfinyl)methyl]-
CID 2249213

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,3-dithiolane?
The IUPAC name of 4-methyl-2-phenyl-1,3-dithiolane (CID 21829) is 4-methyl-2-phenyl-1,3-dithiolane.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-dithiolane?
The canonical SMILES for 4-methyl-2-phenyl-1,3-dithiolane is CC1CSC(c2ccccc2)S1.
What is the InChIKey of 4-methyl-2-phenyl-1,3-dithiolane?
The InChIKey is XVRIROCKGOEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 4-methyl-2-phenyl-1,3-dithiolane?
4-methyl-2-phenyl-1,3-dithiolane has a molecular weight of 196.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-dithiolane is sourced from PubChem (CID 21829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).