CID 59420972

C4H7S2- — CID 59420972

IUPAC—
SMILES[CH-]1SCCCS1
InChIInChI=1S/C4H7S2/c1-2-5-4-6-3-1/h4H,1-3H2/q-1
InChIKeyQHHFJOLKRXEFFT-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.98
Rot. Bonds

About CID 59420972

CID 59420972 (PubChem CID 59420972) has the molecular formula C4H7S2- and a molecular weight of 119.23 g/mol.

Molecular Properties

Compound NameCID 59420972
PubChem CID59420972
Molecular FormulaC4H7S2-
Molecular Weight119.23 g/mol
Exact Mass119.00
IUPAC Name—
SMILES[CH-]1SCCCS1
InChIInChI=1S/C4H7S2/c1-2-5-4-6-3-1/h4H,1-3H2/q-1
InChIKeyQHHFJOLKRXEFFT-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-Dithiane
CID 10451
2-Methyl-1,3-dithiane
CID 22329
2-Ethyl-1,3-dithiane
CID 521915
1,3-Dithiane-2-thione
CID 137194
4-Methyl-1,3-dithiane
CID 303710
2-Methylsulfanyl-1,3-dithiane
CID 303716
2,2-Dimethyl-1,3-dithiane
CID 521914
2,4-Dimethyl-1,3-dithiane
CID 525372
2,2,4-Trimethyl-1,3-dithiane
CID 525344
Lithium 1,3-dithian-2-ide
CID 10931441
2-Chloro-1,3-dithiane
CID 12335969
1,3-Dithian-2-one
CID 571473

Frequently Asked Questions

What is the IUPAC name of CID 59420972?
The IUPAC name of CID 59420972 (CID 59420972) is not available.
What is the SMILES notation for CID 59420972?
The canonical SMILES for CID 59420972 is [CH-]1SCCCS1.
What is the InChIKey of CID 59420972?
The InChIKey is QHHFJOLKRXEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7S2/c1-2-5-4-6-3-1/h4H,1-3H2/q-1.
What are the key properties of CID 59420972?
CID 59420972 has a molecular weight of 119.23 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59420972 is sourced from PubChem (CID 59420972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).