CID 154087033

C3H6NO3S- — CID 154087033

IUPAC—
SMILESCCOC(=O)N=[SH-]=O
InChIInChI=1S/C3H6NO3S/c1-2-7-3(5)4-8-6/h8H,2H2,1H3/q-1
InChIKeySKZCSYFYLXLTGX-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.49
Rot. Bonds1

About CID 154087033

CID 154087033 (PubChem CID 154087033) has the molecular formula C3H6NO3S- and a molecular weight of 136.15 g/mol.

Molecular Properties

Compound NameCID 154087033
PubChem CID154087033
Molecular FormulaC3H6NO3S-
Molecular Weight136.15 g/mol
Exact Mass136.01
IUPAC Name—
SMILESCCOC(=O)N=[SH-]=O
InChIInChI=1S/C3H6NO3S/c1-2-7-3(5)4-8-6/h8H,2H2,1H3/q-1
InChIKeySKZCSYFYLXLTGX-UHFFFAOYSA-N
XLogP0.49
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 154087033 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
CID 173295578
ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
CID 12530393
CID 175796855
CID 175796855
ethyl N-carbamoyliminocarbamate
CID 158260116
acetylene;diethyl carbonate
CID 87073597
magnesium;diethyl carbonate;hydride
CID 173249173
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468
ethyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
CID 2779778
ethyl N-(2-hydroxyethylidene)carbamate
CID 173009776
N-ethoxycarbonylethanesulfonimidic acid
CID 20718446
ethyl N-(2,2,4,4-tetramethylpentan-3-ylidene)carbamate
CID 13482927

Frequently Asked Questions

What is the IUPAC name of CID 154087033?
The IUPAC name of CID 154087033 (CID 154087033) is not available.
What is the SMILES notation for CID 154087033?
The canonical SMILES for CID 154087033 is CCOC(=O)N=[SH-]=O.
What is the InChIKey of CID 154087033?
The InChIKey is SKZCSYFYLXLTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3S/c1-2-7-3(5)4-8-6/h8H,2H2,1H3/q-1.
What are the key properties of CID 154087033?
CID 154087033 has a molecular weight of 136.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154087033 is sourced from PubChem (CID 154087033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).