2-Methoxyethanethioamide

CAT: 0926-QAA53675-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-QAA53675-01Size:5 g

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CAS Number

15536-75-1

MDL Number

MFCD02101217

Smiles

COCC (=S) N

Molecular Formula

C3H7NOS

Molecular Weight

105.16 g/mol

Controlled

Chemical Information

2-Methoxyethanethioamide

CAS Number	15536-75-1
PubChem CID	20323369
IUPAC Name	2-methoxyethanethioamide
Molecular Formula	C3H7NOS
Molecular Weight	105.16
XLogP	-0.4
Topological Polar Surface Area	67.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	54

SMILES

COCC(=S)N

InChI

InChI=1S/C3H7NOS/c1-5-2-3(4)6/h2H2,1H3,(H2,4,6)

InChIKey

DGESBPSZKAQEOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15536-75-1

CID: 20323369

Formula: C3H7NOS

MW: 105.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	105.16
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	105.02483502
Monoisotopic Mass	105.02483502
Topological Polar Surface Area	67.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	54.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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