2-amino-5-chlorobenzenethiol;hydrochloride

C6H7Cl2NS — CID 70156198

IUPAC2-amino-5-chlorobenzenethiol;hydrochloride
SMILESCl.Nc1ccc(Cl)cc1S
InChIInChI=1S/C6H6ClNS.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H,8H2;1H
InChIKeyQITAKWXEKISUSF-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.63
Rot. Bonds

About 2-amino-5-chlorobenzenethiol;hydrochloride

2-amino-5-chlorobenzenethiol;hydrochloride (PubChem CID 70156198) has the molecular formula C6H7Cl2NS and a molecular weight of 196.10 g/mol. Its IUPAC name is 2-amino-5-chlorobenzenethiol;hydrochloride.

Molecular Properties

Compound Name2-amino-5-chlorobenzenethiol;hydrochloride
PubChem CID70156198
Molecular FormulaC6H7Cl2NS
Molecular Weight196.10 g/mol
Exact Mass194.97
IUPAC Name2-amino-5-chlorobenzenethiol;hydrochloride
SMILESCl.Nc1ccc(Cl)cc1S
InChIInChI=1S/C6H6ClNS.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H,8H2;1H
InChIKeyQITAKWXEKISUSF-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.63
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

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CID 116994226
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CID 116994217
4-chloro-2-(2,4-dichlorophenyl)aniline
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CID 139776779

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chlorobenzenethiol;hydrochloride?
The IUPAC name of 2-amino-5-chlorobenzenethiol;hydrochloride (CID 70156198) is 2-amino-5-chlorobenzenethiol;hydrochloride.
What is the SMILES notation for 2-amino-5-chlorobenzenethiol;hydrochloride?
The canonical SMILES for 2-amino-5-chlorobenzenethiol;hydrochloride is Cl.Nc1ccc(Cl)cc1S.
What is the InChIKey of 2-amino-5-chlorobenzenethiol;hydrochloride?
The InChIKey is QITAKWXEKISUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H,8H2;1H.
What are the key properties of 2-amino-5-chlorobenzenethiol;hydrochloride?
2-amino-5-chlorobenzenethiol;hydrochloride has a molecular weight of 196.10 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chlorobenzenethiol;hydrochloride is sourced from PubChem (CID 70156198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).