2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride

C10H13Cl2NS — CID 3061412

IUPAC2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride
SMILESCl.Clc1ccc(C2NCCCS2)cc1
InChIInChI=1S/C10H12ClNS.ClH/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10;/h2-5,10,12H,1,6-7H2;1H
InChIKeyIGROQRSTJZSHNK-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.49
Rot. Bonds1

About 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride

2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride (PubChem CID 3061412) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride
PubChem CID3061412
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride
SMILESCl.Clc1ccc(C2NCCCS2)cc1
InChIInChI=1S/C10H12ClNS.ClH/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10;/h2-5,10,12H,1,6-7H2;1H
InChIKeyIGROQRSTJZSHNK-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
2-(4-Chlorophenyl)thiazolidine
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4-(3-Chlorobenzyl)thiomorpholine
CID 792437
4-(3,4-Dichlorobenzyl)thiomorpholine
CID 793280
Thiazolidine, 2-(o-chlorophenyl)-
CID 2771065
4-Chlorobenzylpiperazine
CID 134826
4-(2,4-Dichlorobenzyl)thiomorpholine
CID 1377068
4-(2-Chlorobenzyl)thiomorpholine
CID 791229
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
2-(2,4-Dichlorophenyl)-1,3-thiazolidine
CID 3050889
Thiazolidine, 2-(M-chlorophenyl)
CID 108528
N-(4-chlorobenzyl)prop-2-en-1-amine
CID 4717877

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride (CID 3061412) is 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride is Cl.Clc1ccc(C2NCCCS2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride?
The InChIKey is IGROQRSTJZSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS.ClH/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10;/h2-5,10,12H,1,6-7H2;1H.
What are the key properties of 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride?
2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride has a molecular weight of 250.19 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).