CID 22762433

C4H10NOS- — CID 22762433

IUPAC—
SMILES[H]/N=[S-](=O)/C(C)CC
InChIInChI=1S/C4H10NOS/c1-3-4(2)7(5)6/h4-5H,3H2,1-2H3/q-1
InChIKeyGSKZXPRSJXVYOY-UHFFFAOYSA-N
MW120.20 g/mol
LogP1.51
Rot. Bonds2

About CID 22762433

CID 22762433 (PubChem CID 22762433) has the molecular formula C4H10NOS- and a molecular weight of 120.20 g/mol.

Molecular Properties

Compound NameCID 22762433
PubChem CID22762433
Molecular FormulaC4H10NOS-
Molecular Weight120.20 g/mol
Exact Mass120.05
IUPAC Name—
SMILES[H]/N=[S-](=O)/C(C)CC
InChIInChI=1S/C4H10NOS/c1-3-4(2)7(5)6/h4-5H,3H2,1-2H3/q-1
InChIKeyGSKZXPRSJXVYOY-UHFFFAOYSA-N
XLogP1.51
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 22762433?
The IUPAC name of CID 22762433 (CID 22762433) is not available.
What is the SMILES notation for CID 22762433?
The canonical SMILES for CID 22762433 is [H]/N=[S-](=O)/C(C)CC.
What is the InChIKey of CID 22762433?
The InChIKey is GSKZXPRSJXVYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOS/c1-3-4(2)7(5)6/h4-5H,3H2,1-2H3/q-1.
What are the key properties of CID 22762433?
CID 22762433 has a molecular weight of 120.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22762433 is sourced from PubChem (CID 22762433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).