(5-chlorothiophen-2-yl)-(methylamino)methanethiol

C6H8ClNS2 — CID 116954482

IUPAC(5-chlorothiophen-2-yl)-(methylamino)methanethiol
SMILESCNC(S)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClNS2/c1-8-6(9)4-2-3-5(7)10-4/h2-3,6,8-9H,1H3
InChIKeyZLQNPABZWQPEFH-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.55
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(methylamino)methanethiol

(5-chlorothiophen-2-yl)-(methylamino)methanethiol (PubChem CID 116954482) has the molecular formula C6H8ClNS2 and a molecular weight of 193.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(methylamino)methanethiol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(methylamino)methanethiol
PubChem CID116954482
Molecular FormulaC6H8ClNS2
Molecular Weight193.72 g/mol
Exact Mass192.98
IUPAC Name(5-chlorothiophen-2-yl)-(methylamino)methanethiol
SMILESCNC(S)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClNS2/c1-8-6(9)4-2-3-5(7)10-4/h2-3,6,8-9H,1H3
InChIKeyZLQNPABZWQPEFH-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 105005210
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475536
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
2-(5-chlorothiophen-2-yl)-2-fluoro-N-methylethanamine
CID 105425161
ethyl 2-(5-chlorothiophen-2-yl)-2-sulfanylacetate
CID 170987502
1-(5-chlorothiophen-2-yl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106656247
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950192
methyl 2-[(5-chlorothiophen-2-yl)-(methylamino)methyl]butanoate
CID 116960408
2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(methylamino)methanethiol?
The IUPAC name of (5-chlorothiophen-2-yl)-(methylamino)methanethiol (CID 116954482) is (5-chlorothiophen-2-yl)-(methylamino)methanethiol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(methylamino)methanethiol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(methylamino)methanethiol is CNC(S)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(methylamino)methanethiol?
The InChIKey is ZLQNPABZWQPEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS2/c1-8-6(9)4-2-3-5(7)10-4/h2-3,6,8-9H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(methylamino)methanethiol?
(5-chlorothiophen-2-yl)-(methylamino)methanethiol has a molecular weight of 193.72 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(methylamino)methanethiol is sourced from PubChem (CID 116954482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).