CID 71194743

C7H7O2S4- — CID 71194743

IUPAC—
SMILESO=S(=O)(Cc1ccccc1)[S-](=S)=S
InChIInChI=1S/C7H7O2S4/c8-13(9,12(10)11)6-7-4-2-1-3-5-7/h1-5H,6H2/q-1
InChIKeyNELKMGJFRJLXGZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.06
Rot. Bonds3

About CID 71194743

CID 71194743 (PubChem CID 71194743) has the molecular formula C7H7O2S4- and a molecular weight of 251.40 g/mol.

Molecular Properties

Compound NameCID 71194743
PubChem CID71194743
Molecular FormulaC7H7O2S4-
Molecular Weight251.40 g/mol
Exact Mass250.93
IUPAC Name—
SMILESO=S(=O)(Cc1ccccc1)[S-](=S)=S
InChIInChI=1S/C7H7O2S4/c8-13(9,12(10)11)6-7-4-2-1-3-5-7/h1-5H,6H2/q-1
InChIKeyNELKMGJFRJLXGZ-UHFFFAOYSA-N
XLogP1.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

cerium(3+);phenylmethanesulfonate
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CID 6158098
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CID 68896583
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
phenylmethanesulfonic acid;phosphane
CID 173374603
alumane;phenylmethanesulfonic acid
CID 174435213
azane;phenylmethanesulfonamide
CID 67842568
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
benzyl hydroxy sulfate
CID 174960485
benzyl-imino-iodo-oxo-λ6-sulfane
CID 174301581
N-oxo-1-phenylmethanesulfonamide
CID 87885271
N-benzylsulfonylbenzenesulfonamide
CID 102116917

Frequently Asked Questions

What is the IUPAC name of CID 71194743?
The IUPAC name of CID 71194743 (CID 71194743) is not available.
What is the SMILES notation for CID 71194743?
The canonical SMILES for CID 71194743 is O=S(=O)(Cc1ccccc1)[S-](=S)=S.
What is the InChIKey of CID 71194743?
The InChIKey is NELKMGJFRJLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2S4/c8-13(9,12(10)11)6-7-4-2-1-3-5-7/h1-5H,6H2/q-1.
What are the key properties of CID 71194743?
CID 71194743 has a molecular weight of 251.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71194743 is sourced from PubChem (CID 71194743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).