CID 12705551

C4H7S2 — CID 12705551

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

About CID 12705551

CID 12705551 (PubChem CID 12705551) has the molecular formula C4H7S2 and a molecular weight of 119.23 g/mol.

Molecular Properties

Compound NameCID 12705551
PubChem CID12705551
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
InChIKeyILWJAOPQHOZXAN-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

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Frequently Asked Questions

What is the IUPAC name of CID 12705551?
The IUPAC name of CID 12705551 (CID 12705551) is not available.
What is the SMILES notation for CID 12705551?
The canonical SMILES for CID 12705551 is [CH]1SCCCS1.
What is the InChIKey of CID 12705551?
The InChIKey is ILWJAOPQHOZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7S2/c1-2-5-4-6-3-1/h4H,1-3H2.
What are the key properties of CID 12705551?
CID 12705551 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 12705551 is sourced from PubChem (CID 12705551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).