CID 135030486

C3H7S- — CID 135030486

IUPAC—
SMILESC#[S-](C)C
InChIInChI=1S/C3H7S/c1-4(2)3/h1H,2-3H3/q-1
InChIKeyBUEKTQZSJFYGHF-UHFFFAOYSA-N
MW75.16 g/mol
LogP0.45
Rot. Bonds

About CID 135030486

CID 135030486 (PubChem CID 135030486) has the molecular formula C3H7S- and a molecular weight of 75.16 g/mol.

Molecular Properties

Compound NameCID 135030486
PubChem CID135030486
Molecular FormulaC3H7S-
Molecular Weight75.16 g/mol
Exact Mass75.03
IUPAC Name—
SMILESC#[S-](C)C
InChIInChI=1S/C3H7S/c1-4(2)3/h1H,2-3H3/q-1
InChIKeyBUEKTQZSJFYGHF-UHFFFAOYSA-N
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135030486?
The IUPAC name of CID 135030486 (CID 135030486) is not available.
What is the SMILES notation for CID 135030486?
The canonical SMILES for CID 135030486 is C#[S-](C)C.
What is the InChIKey of CID 135030486?
The InChIKey is BUEKTQZSJFYGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7S/c1-4(2)3/h1H,2-3H3/q-1.
What are the key properties of CID 135030486?
CID 135030486 has a molecular weight of 75.16 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135030486 is sourced from PubChem (CID 135030486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).