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N-Acetylthiourea

CAT: 0024-sc-357390ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-357390ASize:25 g
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CAS Number
591-08-2

Chemical Information

Acetylthiourea

N-acetylthiourea is a member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by an acetyl group. It is a member of acetamides and a member of thioureas. It is functionally related to a thiourea.

CAS Number591-08-2
PubChem CID2723593
IUPAC NameN-carbamothioylacetamide
Molecular FormulaC3H6N2OS
Molecular Weight118.16
XLogP-0.1
Topological Polar Surface Area87.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity101
SMILES
CC(=O)NC(=S)N
InChI
InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
InChIKey
IPCRBOOJBPETMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetylthiourea
CAS: 591-08-2
CID: 2723593
Formula: C3H6N2OS
MW: 118.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.16
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass118.02008399
Monoisotopic Mass118.02008399
Topological Polar Surface Area87.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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