2-aminobenzenethiol;titanium

C6H7NSTi — CID 157138164

IUPAC2-aminobenzenethiol;titanium
SMILESNc1ccccc1S.[Ti]
InChIInChI=1S/C6H7NS.Ti/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;
InChIKeyAJWIPMGPDXLGFZ-UHFFFAOYSA-N
MW173.06 g/mol
LogP1.55
Rot. Bonds

About 2-aminobenzenethiol;titanium

2-aminobenzenethiol;titanium (PubChem CID 157138164) has the molecular formula C6H7NSTi and a molecular weight of 173.06 g/mol. Its IUPAC name is 2-aminobenzenethiol;titanium.

Molecular Properties

Compound Name2-aminobenzenethiol;titanium
PubChem CID157138164
Molecular FormulaC6H7NSTi
Molecular Weight173.06 g/mol
Exact Mass172.98
IUPAC Name2-aminobenzenethiol;titanium
SMILESNc1ccccc1S.[Ti]
InChIInChI=1S/C6H7NS.Ti/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;
InChIKeyAJWIPMGPDXLGFZ-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.06
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzenethiol;hydrofluoride
CID 175609011
CID 175973603
CID 175973603
2-aminobenzenethiol;gold
CID 90301635
2-aminobenzenethiol tetrafluoroborate
CID 160904546
2-aminobenzenethiol;6-aminocyclohexa-1,5-diene-1-thiol
CID 153375850
2-aminobenzenethiol;1,3-benzothiazole
CID 176901024
2-amino-6-sulfanylbenzonitrile
CID 91873913
bis(benzene-1,2-dithiol);nickel
CID 173096207
benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
8-aminonaphthalene-1-thiol
CID 12574382
2-aminobenzenethiol;aniline;1,3-benzothiazol-2-amine
CID 159847568

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenethiol;titanium?
The IUPAC name of 2-aminobenzenethiol;titanium (CID 157138164) is 2-aminobenzenethiol;titanium.
What is the SMILES notation for 2-aminobenzenethiol;titanium?
The canonical SMILES for 2-aminobenzenethiol;titanium is Nc1ccccc1S.[Ti].
What is the InChIKey of 2-aminobenzenethiol;titanium?
The InChIKey is AJWIPMGPDXLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.Ti/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;.
What are the key properties of 2-aminobenzenethiol;titanium?
2-aminobenzenethiol;titanium has a molecular weight of 173.06 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenethiol;titanium is sourced from PubChem (CID 157138164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).