[methyl(thiophen-2-yl)amino]methanethiol

C6H9NS2 — CID 115227704

IUPAC[methyl(thiophen-2-yl)amino]methanethiol
SMILESCN(CS)c1cccs1
InChIInChI=1S/C6H9NS2/c1-7(5-8)6-3-2-4-9-6/h2-4,8H,5H2,1H3
InChIKeyPLJDMAWHYCJSQV-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.07
Rot. Bonds2

About [methyl(thiophen-2-yl)amino]methanethiol

[methyl(thiophen-2-yl)amino]methanethiol (PubChem CID 115227704) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is [methyl(thiophen-2-yl)amino]methanethiol.

Molecular Properties

Compound Name[methyl(thiophen-2-yl)amino]methanethiol
PubChem CID115227704
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name[methyl(thiophen-2-yl)amino]methanethiol
SMILESCN(CS)c1cccs1
InChIInChI=1S/C6H9NS2/c1-7(5-8)6-3-2-4-9-6/h2-4,8H,5H2,1H3
InChIKeyPLJDMAWHYCJSQV-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

N'-methyl-N'-thiophen-2-ylethane-1,2-diamine
CID 96634753
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
N-(3-fluoroprop-2-enyl)-N-methylthiophen-2-amine
CID 174259551
1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
CID 115205209
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115254855
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327
N-methyl-4-oxo-N-thiophen-2-ylpentanamide
CID 115176753
N-methyl-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238898
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238305
1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951

Frequently Asked Questions

What is the IUPAC name of [methyl(thiophen-2-yl)amino]methanethiol?
The IUPAC name of [methyl(thiophen-2-yl)amino]methanethiol (CID 115227704) is [methyl(thiophen-2-yl)amino]methanethiol.
What is the SMILES notation for [methyl(thiophen-2-yl)amino]methanethiol?
The canonical SMILES for [methyl(thiophen-2-yl)amino]methanethiol is CN(CS)c1cccs1.
What is the InChIKey of [methyl(thiophen-2-yl)amino]methanethiol?
The InChIKey is PLJDMAWHYCJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-7(5-8)6-3-2-4-9-6/h2-4,8H,5H2,1H3.
What are the key properties of [methyl(thiophen-2-yl)amino]methanethiol?
[methyl(thiophen-2-yl)amino]methanethiol has a molecular weight of 159.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(thiophen-2-yl)amino]methanethiol is sourced from PubChem (CID 115227704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).