4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid

C13H23NOSSi2 — CID 88850718

IUPAC4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid
SMILESC[Si](C)(C)N(c1ccc(C(=O)S)cc1)[Si](C)(C)C
InChIInChI=1S/C13H23NOSSi2/c1-17(2,3)14(18(4,5)6)12-9-7-11(8-10-12)13(15)16/h7-10H,1-6H3,(H,15,16)
InChIKeySKDPFKDKWHTPMB-UHFFFAOYSA-N
MW297.57 g/mol
LogP4.23
Rot. Bonds4

About 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid

4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid (PubChem CID 88850718) has the molecular formula C13H23NOSSi2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid.

Molecular Properties

Compound Name4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid
PubChem CID88850718
Molecular FormulaC13H23NOSSi2
Molecular Weight297.57 g/mol
Exact Mass297.10
IUPAC Name4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid
SMILESC[Si](C)(C)N(c1ccc(C(=O)S)cc1)[Si](C)(C)C
InChIInChI=1S/C13H23NOSSi2/c1-17(2,3)14(18(4,5)6)12-9-7-11(8-10-12)13(15)16/h7-10H,1-6H3,(H,15,16)
InChIKeySKDPFKDKWHTPMB-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-dimethylsilylphenyl)ethenyl]-N,N-bis(trimethylsilyl)aniline
CID 175827398
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
4-aminobenzenecarbothioic S-acid
CID 18539755
4-acetamidobenzenecarbothioic S-acid
CID 86154982
4-[(4-sulfanylcarbonylbenzoyl)carbamoyl]benzenecarbothioic S-acid
CID 15537413
5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid
CID 88850891
CID 87087528
CID 87087528
4-(aminomethyl)benzenecarbothioic S-acid
CID 86120927
1-N,1-N,3-N,3-N-tetrakis(trimethylsilyl)benzene-1,3-diamine
CID 15443940
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
[4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol
CID 11340199
trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate
CID 91709660

Frequently Asked Questions

What is the IUPAC name of 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid?
The IUPAC name of 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid (CID 88850718) is 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid.
What is the SMILES notation for 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid?
The canonical SMILES for 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid is C[Si](C)(C)N(c1ccc(C(=O)S)cc1)[Si](C)(C)C.
What is the InChIKey of 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid?
The InChIKey is SKDPFKDKWHTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSSi2/c1-17(2,3)14(18(4,5)6)12-9-7-11(8-10-12)13(15)16/h7-10H,1-6H3,(H,15,16).
What are the key properties of 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid?
4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid has a molecular weight of 297.57 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid is sourced from PubChem (CID 88850718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).