3-trimethoxysilylpropylcarbamodithioic acid

C7H17NO3S2Si — CID 14513088

IUPAC3-trimethoxysilylpropylcarbamodithioic acid
SMILESCO[Si](CCCNC(=S)S)(OC)OC
InChIInChI=1S/C7H17NO3S2Si/c1-9-14(10-2,11-3)6-4-5-8-7(12)13/h4-6H2,1-3H3,(H2,8,12,13)
InChIKeyLQJSHIBWDDHJQO-UHFFFAOYSA-N
MW255.44 g/mol
LogP1.06
Rot. Bonds7

About 3-trimethoxysilylpropylcarbamodithioic acid

3-trimethoxysilylpropylcarbamodithioic acid (PubChem CID 14513088) has the molecular formula C7H17NO3S2Si and a molecular weight of 255.44 g/mol. Its IUPAC name is 3-trimethoxysilylpropylcarbamodithioic acid.

Molecular Properties

Compound Name3-trimethoxysilylpropylcarbamodithioic acid
PubChem CID14513088
Molecular FormulaC7H17NO3S2Si
Molecular Weight255.44 g/mol
Exact Mass255.04
IUPAC Name3-trimethoxysilylpropylcarbamodithioic acid
SMILESCO[Si](CCCNC(=S)S)(OC)OC
InChIInChI=1S/C7H17NO3S2Si/c1-9-14(10-2,11-3)6-4-5-8-7(12)13/h4-6H2,1-3H3,(H2,8,12,13)
InChIKeyLQJSHIBWDDHJQO-UHFFFAOYSA-N
XLogP1.06
TPSA39.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-(dithiocarboxyamino)octylcarbamodithioic acid
CID 158913905
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
CID 140840932
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
22-aminodocosylcarbamodithioic acid
CID 87691165
23-aminotricosylcarbamodithioic acid
CID 87691154
3-trimethoxysilylpropylsulfanylmethanedithioic acid
CID 87557945
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
CID 20651955
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
O-methyl N-(3-triethoxysilylpropyl)carbamothioate
CID 87560870

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropylcarbamodithioic acid?
The IUPAC name of 3-trimethoxysilylpropylcarbamodithioic acid (CID 14513088) is 3-trimethoxysilylpropylcarbamodithioic acid.
What is the SMILES notation for 3-trimethoxysilylpropylcarbamodithioic acid?
The canonical SMILES for 3-trimethoxysilylpropylcarbamodithioic acid is CO[Si](CCCNC(=S)S)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropylcarbamodithioic acid?
The InChIKey is LQJSHIBWDDHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S2Si/c1-9-14(10-2,11-3)6-4-5-8-7(12)13/h4-6H2,1-3H3,(H2,8,12,13).
What are the key properties of 3-trimethoxysilylpropylcarbamodithioic acid?
3-trimethoxysilylpropylcarbamodithioic acid has a molecular weight of 255.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropylcarbamodithioic acid is sourced from PubChem (CID 14513088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).