CID 101130167

C3H3S — CID 101130167

IUPAC—
SMILESCC#C[S]
InChIInChI=1S/C3H3S/c1-2-3-4/h1H3
InChIKeyGHKYURWXYRPXCB-UHFFFAOYSA-N
MW71.12 g/mol
LogP1.16
Rot. Bonds

About CID 101130167

CID 101130167 (PubChem CID 101130167) has the molecular formula C3H3S and a molecular weight of 71.12 g/mol.

Molecular Properties

Compound NameCID 101130167
PubChem CID101130167
Molecular FormulaC3H3S
Molecular Weight71.12 g/mol
Exact Mass71.00
IUPAC Name—
SMILESCC#C[S]
InChIInChI=1S/C3H3S/c1-2-3-4/h1H3
InChIKeyGHKYURWXYRPXCB-UHFFFAOYSA-N
XLogP1.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.12
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101130167?
The IUPAC name of CID 101130167 (CID 101130167) is not available.
What is the SMILES notation for CID 101130167?
The canonical SMILES for CID 101130167 is CC#C[S].
What is the InChIKey of CID 101130167?
The InChIKey is GHKYURWXYRPXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3S/c1-2-3-4/h1H3.
What are the key properties of CID 101130167?
CID 101130167 has a molecular weight of 71.12 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101130167 is sourced from PubChem (CID 101130167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).