sulfurothioic O-acid;toluene

C14H18O3S2 — CID 174461013

IUPACsulfurothioic O-acid;toluene
SMILESCc1ccccc1.Cc1ccccc1.O=S(O)(O)=S
InChIInChI=1S/2C7H8.H2O3S2/c2*1-7-5-3-2-4-6-7;1-5(2,3)4/h2*2-6H,1H3;(H2,1,2,3,4)
InChIKeyIFCNAGKHSCTUJW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.67
Rot. Bonds

About sulfurothioic O-acid;toluene

sulfurothioic O-acid;toluene (PubChem CID 174461013) has the molecular formula C14H18O3S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is sulfurothioic O-acid;toluene.

Molecular Properties

Compound Namesulfurothioic O-acid;toluene
PubChem CID174461013
Molecular FormulaC14H18O3S2
Molecular Weight298.43 g/mol
Exact Mass298.07
IUPAC Namesulfurothioic O-acid;toluene
SMILESCc1ccccc1.Cc1ccccc1.O=S(O)(O)=S
InChIInChI=1S/2C7H8.H2O3S2/c2*1-7-5-3-2-4-6-7;1-5(2,3)4/h2*2-6H,1H3;(H2,1,2,3,4)
InChIKeyIFCNAGKHSCTUJW-UHFFFAOYSA-N
XLogP3.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sulfurothioic O-acid;toluene?
The IUPAC name of sulfurothioic O-acid;toluene (CID 174461013) is sulfurothioic O-acid;toluene.
What is the SMILES notation for sulfurothioic O-acid;toluene?
The canonical SMILES for sulfurothioic O-acid;toluene is Cc1ccccc1.Cc1ccccc1.O=S(O)(O)=S.
What is the InChIKey of sulfurothioic O-acid;toluene?
The InChIKey is IFCNAGKHSCTUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.H2O3S2/c2*1-7-5-3-2-4-6-7;1-5(2,3)4/h2*2-6H,1H3;(H2,1,2,3,4).
What are the key properties of sulfurothioic O-acid;toluene?
sulfurothioic O-acid;toluene has a molecular weight of 298.43 g/mol, XLogP of 3.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurothioic O-acid;toluene is sourced from PubChem (CID 174461013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).