CID 88634394

C4H12OS2 — CID 88634394

IUPAC—
SMILESCC(C)(C)O.SS
InChIInChI=1S/C4H10O.H2S2/c1-4(2,3)5;1-2/h5H,1-3H3;1-2H
InChIKeyYPEROHHNEHVSMN-UHFFFAOYSA-N
MW140.27 g/mol
LogP1.54
Rot. Bonds

About CID 88634394

CID 88634394 (PubChem CID 88634394) has the molecular formula C4H12OS2 and a molecular weight of 140.27 g/mol.

Molecular Properties

Compound NameCID 88634394
PubChem CID88634394
Molecular FormulaC4H12OS2
Molecular Weight140.27 g/mol
Exact Mass140.03
IUPAC Name—
SMILESCC(C)(C)O.SS
InChIInChI=1S/C4H10O.H2S2/c1-4(2,3)5;1-2/h5H,1-3H3;1-2H
InChIKeyYPEROHHNEHVSMN-UHFFFAOYSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-Methylpropan-2-ol--zirconium (1/1)
CID 25200170
2-(~13~C)Methyl(~13~C_3_)propan-2-ol
CID 24872149
2-(~13~C)Methyl(1,3-~13~C_2_)propan-2-ol
CID 24872151
2-Methylpropan-2-ol--water (1/2)
CID 71346507
2-Methylpropan-2-ol--water (1/1)
CID 71401949
Cu(I)-tert-Butoxid
CID 11126316

Frequently Asked Questions

What is the IUPAC name of CID 88634394?
The IUPAC name of CID 88634394 (CID 88634394) is not available.
What is the SMILES notation for CID 88634394?
The canonical SMILES for CID 88634394 is CC(C)(C)O.SS.
What is the InChIKey of CID 88634394?
The InChIKey is YPEROHHNEHVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.H2S2/c1-4(2,3)5;1-2/h5H,1-3H3;1-2H.
What are the key properties of CID 88634394?
CID 88634394 has a molecular weight of 140.27 g/mol, XLogP of 1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88634394 is sourced from PubChem (CID 88634394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).