methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate

C8H17NOS2 — CID 54386052

IUPACmethyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
SMILESCSC(=S)NCCOC(C)(C)C
InChIInChI=1S/C8H17NOS2/c1-8(2,3)10-6-5-9-7(11)12-4/h5-6H2,1-4H3,(H,9,11)
InChIKeyVDHZKIAXEMGBGI-UHFFFAOYSA-N
MW207.36 g/mol
LogP2.04
Rot. Bonds3

About methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate

methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate (PubChem CID 54386052) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
PubChem CID54386052
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC Namemethyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
SMILESCSC(=S)NCCOC(C)(C)C
InChIInChI=1S/C8H17NOS2/c1-8(2,3)10-6-5-9-7(11)12-4/h5-6H2,1-4H3,(H,9,11)
InChIKeyVDHZKIAXEMGBGI-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

S-methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamothioate
CID 139518855
methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 2754715
methyl N-(3-methoxypropyl)carbamodithioate
CID 23324215
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
methyl N-(2-methylsulfanylethyl)carbamodithioate
CID 20526585
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 71750713
2-[(2-methylpropan-2-yl)oxy]ethylhydrazine
CID 86615301
carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
CID 58312456
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-methylsulfonylurea
CID 134195371
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate?
The IUPAC name of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate (CID 54386052) is methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate.
What is the SMILES notation for methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate?
The canonical SMILES for methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate is CSC(=S)NCCOC(C)(C)C.
What is the InChIKey of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate?
The InChIKey is VDHZKIAXEMGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-8(2,3)10-6-5-9-7(11)12-4/h5-6H2,1-4H3,(H,9,11).
What are the key properties of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate?
methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate has a molecular weight of 207.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate is sourced from PubChem (CID 54386052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).