CID 157319660

C3H6NO3S- — CID 157319660

IUPAC—
SMILESC/[S-](=O)=N/CC(=O)O
InChIInChI=1S/C3H6NO3S/c1-8(7)4-2-3(5)6/h2H2,1H3,(H,5,6)/q-1
InChIKeyLHFHZXHYVTXWED-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.15
Rot. Bonds2

About CID 157319660

CID 157319660 (PubChem CID 157319660) has the molecular formula C3H6NO3S- and a molecular weight of 136.15 g/mol.

Molecular Properties

Compound NameCID 157319660
PubChem CID157319660
Molecular FormulaC3H6NO3S-
Molecular Weight136.15 g/mol
Exact Mass136.01
IUPAC Name—
SMILESC/[S-](=O)=N/CC(=O)O
InChIInChI=1S/C3H6NO3S/c1-8(7)4-2-3(5)6/h2H2,1H3,(H,5,6)/q-1
InChIKeyLHFHZXHYVTXWED-UHFFFAOYSA-N
XLogP-0.15
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 157319660?
The IUPAC name of CID 157319660 (CID 157319660) is not available.
What is the SMILES notation for CID 157319660?
The canonical SMILES for CID 157319660 is C/[S-](=O)=N/CC(=O)O.
What is the InChIKey of CID 157319660?
The InChIKey is LHFHZXHYVTXWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3S/c1-8(7)4-2-3(5)6/h2H2,1H3,(H,5,6)/q-1.
What are the key properties of CID 157319660?
CID 157319660 has a molecular weight of 136.15 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157319660 is sourced from PubChem (CID 157319660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).