tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate

C10H18O4S2 — CID 151723070

IUPACtert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate
SMILESCC(C)(C)OC(=O)SSC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O4S2/c1-9(2,3)13-7(11)15-16-8(12)14-10(4,5)6/h1-6H3
InChIKeyRIZNAZGWNRRPTO-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.24
Rot. Bonds

About tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate

tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate (PubChem CID 151723070) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate.

Molecular Properties

Compound Nametert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate
PubChem CID151723070
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Nametert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate
SMILESCC(C)(C)OC(=O)SSC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O4S2/c1-9(2,3)13-7(11)15-16-8(12)14-10(4,5)6/h1-6H3
InChIKeyRIZNAZGWNRRPTO-UHFFFAOYSA-N
XLogP4.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2-amino-2-oxoethyl)sulfanylformate
CID 174594780
tert-butyl acetate
CID 159704758
ditert-butyl oxalate;hydrazine
CID 88669499
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
tert-butyl 3-amino-2-[[3-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 87968324
tert-butyl hydroxy carbonate
CID 19428429
ditert-butyl but-2-ynedioate
CID 545317
zinc tert-butyl acetate
CID 154091247
ditert-butyl 2-[bis(sulfanyl)methyl]propanedioate
CID 88515400
tert-butyl (4-formylphenyl)sulfanylformate
CID 10857524
tert-butyl hydrogen carbonate;2-methylpropan-2-amine
CID 173023605

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate?
The IUPAC name of tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate (CID 151723070) is tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate.
What is the SMILES notation for tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate?
The canonical SMILES for tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate is CC(C)(C)OC(=O)SSC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate?
The InChIKey is RIZNAZGWNRRPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2/c1-9(2,3)13-7(11)15-16-8(12)14-10(4,5)6/h1-6H3.
What are the key properties of tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate?
tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate has a molecular weight of 266.38 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2-methylpropan-2-yl)oxycarbonyldisulfanyl]formate is sourced from PubChem (CID 151723070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).