4-chloro-3-(dimethylamino)benzenethiol

C8H10ClNS — CID 130120559

IUPAC4-chloro-3-(dimethylamino)benzenethiol
SMILESCN(C)c1cc(S)ccc1Cl
InChIInChI=1S/C8H10ClNS/c1-10(2)8-5-6(11)3-4-7(8)9/h3-5,11H,1-2H3
InChIKeyMBBUSNOYLACCPY-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.69
Rot. Bonds1

About 4-chloro-3-(dimethylamino)benzenethiol

4-chloro-3-(dimethylamino)benzenethiol (PubChem CID 130120559) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 4-chloro-3-(dimethylamino)benzenethiol.

Molecular Properties

Compound Name4-chloro-3-(dimethylamino)benzenethiol
PubChem CID130120559
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name4-chloro-3-(dimethylamino)benzenethiol
SMILESCN(C)c1cc(S)ccc1Cl
InChIInChI=1S/C8H10ClNS/c1-10(2)8-5-6(11)3-4-7(8)9/h3-5,11H,1-2H3
InChIKeyMBBUSNOYLACCPY-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-3-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117117417
N-[4-chloro-3-(dimethylamino)phenyl]acetamide
CID 19857498
4-(dimethylamino)-3-ethenylbenzenethiol;ethane
CID 145478997
2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid
CID 115113110
2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 59189593
5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline
CID 115111097
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
2-chloro-N,N,4-trimethylaniline
CID 4099980
3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 115111978
2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine
CID 130018341
2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylamino)benzenethiol?
The IUPAC name of 4-chloro-3-(dimethylamino)benzenethiol (CID 130120559) is 4-chloro-3-(dimethylamino)benzenethiol.
What is the SMILES notation for 4-chloro-3-(dimethylamino)benzenethiol?
The canonical SMILES for 4-chloro-3-(dimethylamino)benzenethiol is CN(C)c1cc(S)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylamino)benzenethiol?
The InChIKey is MBBUSNOYLACCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-10(2)8-5-6(11)3-4-7(8)9/h3-5,11H,1-2H3.
What are the key properties of 4-chloro-3-(dimethylamino)benzenethiol?
4-chloro-3-(dimethylamino)benzenethiol has a molecular weight of 187.69 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylamino)benzenethiol is sourced from PubChem (CID 130120559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).