bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane

C22H30S5 — CID 22350142

IUPACbis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane
SMILESCSc1ccc(CSC2CC2)cc1.CSc1ccc(CSC2CC2)cc1.S
InChIInChI=1S/2C11H14S2.H2S/c2*1-12-10-4-2-9(3-5-10)8-13-11-6-7-11;/h2*2-5,11H,6-8H2,1H3;1H2
InChIKeySKCZKHHWUADTOT-UHFFFAOYSA-N
MW454.82 g/mol
LogP7.72
Rot. Bonds8

About bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane

bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane (PubChem CID 22350142) has the molecular formula C22H30S5 and a molecular weight of 454.82 g/mol. Its IUPAC name is bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane.

Molecular Properties

Compound Namebis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane
PubChem CID22350142
Molecular FormulaC22H30S5
Molecular Weight454.82 g/mol
Exact Mass454.10
IUPAC Namebis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane
SMILESCSc1ccc(CSC2CC2)cc1.CSc1ccc(CSC2CC2)cc1.S
InChIInChI=1S/2C11H14S2.H2S/c2*1-12-10-4-2-9(3-5-10)8-13-11-6-7-11;/h2*2-5,11H,6-8H2,1H3;1H2
InChIKeySKCZKHHWUADTOT-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.82
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane 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 bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane?
The IUPAC name of bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane (CID 22350142) is bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane.
What is the SMILES notation for bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane?
The canonical SMILES for bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane is CSc1ccc(CSC2CC2)cc1.CSc1ccc(CSC2CC2)cc1.S.
What is the InChIKey of bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane?
The InChIKey is SKCZKHHWUADTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14S2.H2S/c2*1-12-10-4-2-9(3-5-10)8-13-11-6-7-11;/h2*2-5,11H,6-8H2,1H3;1H2.
What are the key properties of bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane?
bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane has a molecular weight of 454.82 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(cyclopropylsulfanylmethyl)-4-methylsulfanylbenzene);sulfane is sourced from PubChem (CID 22350142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).