[3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate

C8H19NOS5Si — CID 87173623

IUPAC[3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SSSSCCC[Si](C)(C)O
InChIInChI=1S/C8H19NOS5Si/c1-9(2)8(11)13-15-14-12-6-5-7-16(3,4)10/h10H,5-7H2,1-4H3
InChIKeyJZJYVHZNMULUPS-UHFFFAOYSA-N
MW333.67 g/mol
LogP4.10
Rot. Bonds7

About [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate

[3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate (PubChem CID 87173623) has the molecular formula C8H19NOS5Si and a molecular weight of 333.67 g/mol. Its IUPAC name is [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate
PubChem CID87173623
Molecular FormulaC8H19NOS5Si
Molecular Weight333.67 g/mol
Exact Mass332.98
IUPAC Name[3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SSSSCCC[Si](C)(C)O
InChIInChI=1S/C8H19NOS5Si/c1-9(2)8(11)13-15-14-12-6-5-7-16(3,4)10/h10H,5-7H2,1-4H3
InChIKeyJZJYVHZNMULUPS-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate (CID 87173623) is [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)SSSSCCC[Si](C)(C)O.
What is the InChIKey of [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate?
The InChIKey is JZJYVHZNMULUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS5Si/c1-9(2)8(11)13-15-14-12-6-5-7-16(3,4)10/h10H,5-7H2,1-4H3.
What are the key properties of [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate?
[3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate has a molecular weight of 333.67 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hydroxy(dimethyl)silyl]propyltrisulfanyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 87173623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).