CID 18684405

C3H7O3S2- — CID 18684405

IUPAC—
SMILESCOC(O)C[S-](=O)=S
InChIInChI=1S/C3H7O3S2/c1-6-3(4)2-8(5)7/h3-4H,2H2,1H3/q-1
InChIKeyNDMJQGHMYLWXMV-UHFFFAOYSA-N
MW155.22 g/mol
LogP-0.62
Rot. Bonds3

About CID 18684405

CID 18684405 (PubChem CID 18684405) has the molecular formula C3H7O3S2- and a molecular weight of 155.22 g/mol.

Molecular Properties

Compound NameCID 18684405
PubChem CID18684405
Molecular FormulaC3H7O3S2-
Molecular Weight155.22 g/mol
Exact Mass154.98
IUPAC Name—
SMILESCOC(O)C[S-](=O)=S
InChIInChI=1S/C3H7O3S2/c1-6-3(4)2-8(5)7/h3-4H,2H2,1H3/q-1
InChIKeyNDMJQGHMYLWXMV-UHFFFAOYSA-N
XLogP-0.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze CID 18684405 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

1,3-bis(2-hydroxy-2-methoxyethyl)urea
CID 57276447
1-methoxypropan-1-ol;hydrate
CID 141025991
1-methoxypropan-1-ol;silane
CID 174772111
2-(ethylamino)-1-methoxyethanol
CID 173318467
(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
CID 147676110
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
(2-hydroxy-2-methoxyethyl) hypofluorite
CID 148547948
6-methoxyhexane-1,1,6-triol
CID 155462430
6-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 54081309
CID 175392220
CID 175392220
1-methoxy-5-methylhexan-1-ol
CID 167712428
methyl (2R,3S)-2-bromo-3-methoxy-2-methylpentanoate
CID 102110965

Frequently Asked Questions

What is the IUPAC name of CID 18684405?
The IUPAC name of CID 18684405 (CID 18684405) is not available.
What is the SMILES notation for CID 18684405?
The canonical SMILES for CID 18684405 is COC(O)C[S-](=O)=S.
What is the InChIKey of CID 18684405?
The InChIKey is NDMJQGHMYLWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3S2/c1-6-3(4)2-8(5)7/h3-4H,2H2,1H3/q-1.
What are the key properties of CID 18684405?
CID 18684405 has a molecular weight of 155.22 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18684405 is sourced from PubChem (CID 18684405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).