methylsulfanylmethane;pentane-1-thiol;styrene

C15H26S2 — CID 145163199

IUPACmethylsulfanylmethane;pentane-1-thiol;styrene
SMILESC=Cc1ccccc1.CCCCCS.CSC
InChIInChI=1S/C8H8.C5H12S.C2H6S/c1-2-8-6-4-3-5-7-8;1-2-3-4-5-6;1-3-2/h2-7H,1H2;6H,2-5H2,1H3;1-2H3
InChIKeyNCGRSTWZECIEKE-UHFFFAOYSA-N
MW270.51 g/mol
LogP5.42
Rot. Bonds4

About methylsulfanylmethane;pentane-1-thiol;styrene

methylsulfanylmethane;pentane-1-thiol;styrene (PubChem CID 145163199) has the molecular formula C15H26S2 and a molecular weight of 270.51 g/mol. Its IUPAC name is methylsulfanylmethane;pentane-1-thiol;styrene.

Molecular Properties

Compound Namemethylsulfanylmethane;pentane-1-thiol;styrene
PubChem CID145163199
Molecular FormulaC15H26S2
Molecular Weight270.51 g/mol
Exact Mass270.15
IUPAC Namemethylsulfanylmethane;pentane-1-thiol;styrene
SMILESC=Cc1ccccc1.CCCCCS.CSC
InChIInChI=1S/C8H8.C5H12S.C2H6S/c1-2-8-6-4-3-5-7-8;1-2-3-4-5-6;1-3-2/h2-7H,1H2;6H,2-5H2,1H3;1-2H3
InChIKeyNCGRSTWZECIEKE-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.51
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174451877
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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;pentane-1-thiol;styrene?
The IUPAC name of methylsulfanylmethane;pentane-1-thiol;styrene (CID 145163199) is methylsulfanylmethane;pentane-1-thiol;styrene.
What is the SMILES notation for methylsulfanylmethane;pentane-1-thiol;styrene?
The canonical SMILES for methylsulfanylmethane;pentane-1-thiol;styrene is C=Cc1ccccc1.CCCCCS.CSC.
What is the InChIKey of methylsulfanylmethane;pentane-1-thiol;styrene?
The InChIKey is NCGRSTWZECIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H12S.C2H6S/c1-2-8-6-4-3-5-7-8;1-2-3-4-5-6;1-3-2/h2-7H,1H2;6H,2-5H2,1H3;1-2H3.
What are the key properties of methylsulfanylmethane;pentane-1-thiol;styrene?
methylsulfanylmethane;pentane-1-thiol;styrene has a molecular weight of 270.51 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;pentane-1-thiol;styrene is sourced from PubChem (CID 145163199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).