Ethanethioylglycine

CAT: 0127-OR1039670-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1039670-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

412307-34-7

MDL Number

MFCD19226316

Purity

97%

Smiles

O=C(O)CNC(C)=S

Chemical Information

N-(1-Thioxoethyl)glycine

CAS Number	412307-34-7
PubChem CID	14389889
IUPAC Name	2-(ethanethioylamino)acetic acid
Molecular Formula	C4H7NO2S
Molecular Weight	133.17
XLogP	-0.3
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	113

SMILES

CC(=S)NCC(=O)O

InChI

InChI=1S/C4H7NO2S/c1-3(8)5-2-4(6)7/h2H2,1H3,(H,5,8)(H,6,7)

InChIKey

MOPCBCAABYPLOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 412307-34-7

CID: 14389889

Formula: C4H7NO2S

MW: 133.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.17
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	133.01974964
Monoisotopic Mass	133.01974964
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	113
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