(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine

C10H12ClNS — CID 82394109

IUPAC(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine
SMILESNCC1CSc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNS/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2
InChIKeyWWRPLUOTUZNXDT-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.56
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine

(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine (PubChem CID 82394109) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine
PubChem CID82394109
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine
SMILESNCC1CSc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNS/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2
InChIKeyWWRPLUOTUZNXDT-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3,4-dihydro-2H-thiochromen-3-amine
CID 53408397
1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine
CID 19982156
2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911362
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201005
3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-amine
CID 24837567
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105498595
(1-bromo-8-chloro-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-yl)methanamine
CID 175045847
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
1-(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19982151
2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911363
2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 117201016

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine?
The IUPAC name of (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine (CID 82394109) is (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine is NCC1CSc2ccc(Cl)cc2C1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine?
The InChIKey is WWRPLUOTUZNXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine?
(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine has a molecular weight of 213.73 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine is sourced from PubChem (CID 82394109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).