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N-Methylthiourea

CAT: 0024-sc-250481Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-250481Size:25 g
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CAS Number
598-52-7

Chemical Information

Methylthiourea

N-methylthiourea is a member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group. It has a role as a drug metabolite, a hepatotoxic agent and a human xenobiotic metabolite. It is functionally related to a thiourea.

CAS Number598-52-7
PubChem CID2723704
IUPAC Namemethylthiourea
Molecular FormulaC2H6N2S
Molecular Weight90.15
XLogP-0.7
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity42
SMILES
CNC(=S)N
InChI
InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey
KQJQICVXLJTWQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylthiourea
CAS: 598-52-7
CID: 2723704
Formula: C2H6N2S
MW: 90.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.15
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass90.02516937
Monoisotopic Mass90.02516937
Topological Polar Surface Area70.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.9
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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283338-01N-Methylthiourea
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