CID 101495013

C2HS2 — CID 101495013

IUPAC—
SMILES[S]C=C=S
InChIInChI=1S/C2HS2/c3-1-2-4/h1H
InChIKeyDUWLZRROJLOADF-UHFFFAOYSA-N
MW89.16 g/mol
LogP1.30
Rot. Bonds

About CID 101495013

CID 101495013 (PubChem CID 101495013) has the molecular formula C2HS2 and a molecular weight of 89.16 g/mol.

Molecular Properties

Compound NameCID 101495013
PubChem CID101495013
Molecular FormulaC2HS2
Molecular Weight89.16 g/mol
Exact Mass88.95
IUPAC Name—
SMILES[S]C=C=S
InChIInChI=1S/C2HS2/c3-1-2-4/h1H
InChIKeyDUWLZRROJLOADF-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 90728501
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Frequently Asked Questions

What is the IUPAC name of CID 101495013?
The IUPAC name of CID 101495013 (CID 101495013) is not available.
What is the SMILES notation for CID 101495013?
The canonical SMILES for CID 101495013 is [S]C=C=S.
What is the InChIKey of CID 101495013?
The InChIKey is DUWLZRROJLOADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HS2/c3-1-2-4/h1H.
What are the key properties of CID 101495013?
CID 101495013 has a molecular weight of 89.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101495013 is sourced from PubChem (CID 101495013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).