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

C11H14ClNOS — CID 83912802

IUPAC2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
SMILESNC(CO)C1CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNOS/c12-7-1-2-11-9(5-7)8(3-4-15-11)10(13)6-14/h1-2,5,8,10,14H,3-4,6,13H2
InChIKeyCHKZAFUHMMZBCN-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.24
Rot. Bonds2

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

2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol (PubChem CID 83912802) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
PubChem CID83912802
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
SMILESNC(CO)C1CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNOS/c12-7-1-2-11-9(5-7)8(3-4-15-11)10(13)6-14/h1-2,5,8,10,14H,3-4,6,13H2
InChIKeyCHKZAFUHMMZBCN-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912486
[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
CID 103786082
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972
1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105744
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911362
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide
CID 119275002
4-chloro-2-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]phenol
CID 43723360
2-(butan-2-ylamino)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 60853386

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol (CID 83912802) is 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol is NC(CO)C1CCSc2ccc(Cl)cc21.
What is the InChIKey of 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The InChIKey is CHKZAFUHMMZBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-7-1-2-11-9(5-7)8(3-4-15-11)10(13)6-14/h1-2,5,8,10,14H,3-4,6,13H2.
What are the key properties of 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol has a molecular weight of 243.76 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)ethanol is sourced from PubChem (CID 83912802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).