N-(5-chloro-2-methylphenyl)thian-4-amine

C12H16ClNS — CID 43511220

IUPACN-(5-chloro-2-methylphenyl)thian-4-amine
SMILESCc1ccc(Cl)cc1NC1CCSCC1
InChIInChI=1S/C12H16ClNS/c1-9-2-3-10(13)8-12(9)14-11-4-6-15-7-5-11/h2-3,8,11,14H,4-7H2,1H3
InChIKeyOMCFEUYHLIOKAN-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.96
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)thian-4-amine

N-(5-chloro-2-methylphenyl)thian-4-amine (PubChem CID 43511220) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)thian-4-amine
PubChem CID43511220
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC NameN-(5-chloro-2-methylphenyl)thian-4-amine
SMILESCc1ccc(Cl)cc1NC1CCSCC1
InChIInChI=1S/C12H16ClNS/c1-9-2-3-10(13)8-12(9)14-11-4-6-15-7-5-11/h2-3,8,11,14H,4-7H2,1H3
InChIKeyOMCFEUYHLIOKAN-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710
4-(5-chloro-2-methylanilino)cyclohexan-1-one
CID 117027853
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
N-(2-bromo-4-chlorophenyl)thian-4-amine
CID 81263833
4-chloro-2-(thian-4-ylamino)benzonitrile
CID 43681711
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
CID 64594827
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43755235
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)thian-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)thian-4-amine (CID 43511220) is N-(5-chloro-2-methylphenyl)thian-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)thian-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)thian-4-amine is Cc1ccc(Cl)cc1NC1CCSCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)thian-4-amine?
The InChIKey is OMCFEUYHLIOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-9-2-3-10(13)8-12(9)14-11-4-6-15-7-5-11/h2-3,8,11,14H,4-7H2,1H3.
What are the key properties of N-(5-chloro-2-methylphenyl)thian-4-amine?
N-(5-chloro-2-methylphenyl)thian-4-amine has a molecular weight of 241.79 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)thian-4-amine is sourced from PubChem (CID 43511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).