N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride

C17H20ClNS — CID 19864647

IUPACN,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride
SMILESCN(C)C1Cc2ccccc2Sc2ccccc2C1.Cl
InChIInChI=1S/C17H19NS.ClH/c1-18(2)15-11-13-7-3-5-9-16(13)19-17-10-6-4-8-14(17)12-15;/h3-10,15H,11-12H2,1-2H3;1H
InChIKeyXCXQLCKHYXCJCL-UHFFFAOYSA-N
MW305.87 g/mol
LogP4.29
Rot. Bonds1

About N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride

N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride (PubChem CID 19864647) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride
PubChem CID19864647
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC NameN,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride
SMILESCN(C)C1Cc2ccccc2Sc2ccccc2C1.Cl
InChIInChI=1S/C17H19NS.ClH/c1-18(2)15-11-13-7-3-5-9-16(13)19-17-10-6-4-8-14(17)12-15;/h3-10,15H,11-12H2,1-2H3;1H
InChIKeyXCXQLCKHYXCJCL-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride (CID 19864647) is N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride is CN(C)C1Cc2ccccc2Sc2ccccc2C1.Cl.
What is the InChIKey of N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride?
The InChIKey is XCXQLCKHYXCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS.ClH/c1-18(2)15-11-13-7-3-5-9-16(13)19-17-10-6-4-8-14(17)12-15;/h3-10,15H,11-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride?
N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride has a molecular weight of 305.87 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-11,12-dihydro-10H-benzo[b][1]benzothiocin-11-amine;hydrochloride is sourced from PubChem (CID 19864647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).