oxiran-2-ylmethyl benzenecarbodithioate

C10H10OS2 — CID 155725175

IUPACoxiran-2-ylmethyl benzenecarbodithioate
SMILESS=C(SCC1CO1)c1ccccc1
InChIInChI=1S/C10H10OS2/c12-10(13-7-9-6-11-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyVYTULCUQKSTKDI-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.49
Rot. Bonds3

About oxiran-2-ylmethyl benzenecarbodithioate

oxiran-2-ylmethyl benzenecarbodithioate (PubChem CID 155725175) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is oxiran-2-ylmethyl benzenecarbodithioate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl benzenecarbodithioate
PubChem CID155725175
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Nameoxiran-2-ylmethyl benzenecarbodithioate
SMILESS=C(SCC1CO1)c1ccccc1
InChIInChI=1S/C10H10OS2/c12-10(13-7-9-6-11-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyVYTULCUQKSTKDI-UHFFFAOYSA-N
XLogP2.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

S-(oxiran-2-ylmethyl) benzenecarbothioate
CID 21321039
ethyl benzenecarbodithioate
CID 578579
2-phenylethyl benzenecarbodithioate
CID 23390622
3-cyanopropyl benzenecarbodithioate
CID 87563220
butyl benzenecarbodithioate
CID 578502
[2,3,4-tris(benzenecarbonothioylsulfanylmethyl)phenyl]methyl benzenecarbodithioate
CID 54560307
benzenecarbonothioylsulfanylmethyl(triphenyl)phosphanium iodide
CID 86048433
2-cyanoethyl benzenecarbodithioate
CID 87380012
[(Z)-2-chlorobut-2-enyl] benzenecarbodithioate
CID 146314677
(4-bromophenyl)methyl benzenecarbodithioate
CID 101118785
benzoic acid;3-(oxiran-2-yl)propan-1-ol
CID 71324796
N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine
CID 11054172

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl benzenecarbodithioate?
The IUPAC name of oxiran-2-ylmethyl benzenecarbodithioate (CID 155725175) is oxiran-2-ylmethyl benzenecarbodithioate.
What is the SMILES notation for oxiran-2-ylmethyl benzenecarbodithioate?
The canonical SMILES for oxiran-2-ylmethyl benzenecarbodithioate is S=C(SCC1CO1)c1ccccc1.
What is the InChIKey of oxiran-2-ylmethyl benzenecarbodithioate?
The InChIKey is VYTULCUQKSTKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c12-10(13-7-9-6-11-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of oxiran-2-ylmethyl benzenecarbodithioate?
oxiran-2-ylmethyl benzenecarbodithioate has a molecular weight of 210.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl benzenecarbodithioate is sourced from PubChem (CID 155725175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).