1,3-Dimethylthiourea

CAT: 0926-FD22413-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FD22413-01Size:0.25 kg

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CAS Number

534-13-4

Synonyms

1,3-Dimethylisothiourea; Dimethylthiocarbamide; N, N'-Dimethyl-thiourea

MDL Number

MFCD00004923

Smiles

CNC (=S) NC

Molecular Formula

C3H8N2S

Molecular Weight

104.18 g/mol

Controlled

Chemical Information

N,N'-Dimethylthiourea

CAS Number	534-13-4
PubChem CID	2723631
IUPAC Name	1,3-dimethylthiourea
Molecular Formula	C3H8N2S
Molecular Weight	104.18
XLogP	-0.2
Topological Polar Surface Area	56.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	46

SMILES

CNC(=S)NC

InChI

InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChIKey

VLCDUOXHFNUCKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 534-13-4

CID: 2723631

Formula: C3H8N2S

MW: 104.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.18
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	104.04081944
Monoisotopic Mass	104.04081944
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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

Catalog	Name
CAA74114-01	1-Benzyl-3,3-dimethylthiourea
FN75254-01	N, N-Dimethylthiourea
FH158410-01	1,1,1,3,3,3-Hexabromoacetone
DBA78192	1,1,3,3-Tetramethyl propane-1,1,3,3-tetracarboxylate
FB75602	1,3-Bis (3,3,3-trifluoropropyl) -1,1,3,3-tetramethyldisilazane
FHA00615-01	1,1,1,3,3-Pentamethyl-3-octyldisiloxane
BAA00000-01	1,1,3,3-Tetraethyl-1,3-dimethyldisiloxane
NGA40020-01	1-Bromopropane-1,1,3,3,3-d5
BAA11815-01	1,1,3,3-Tetramethyldisiloxane-1,3-diol
SAA88294	1,3-Diethyl-1,1,3,3-tetramethyldisilazane

Catalog	Name
272744-01	1,3-Dimethylthiourea
TRC-D446752-100MG	1,3-Dimethylthiourea-d6
TRC-B537000-250MG	1-benzyl-3,3-dimethylthiourea
OR96053-01	1,1-Dimethylthiourea
sc-250537	N, N'-Dimethylthiourea
JH328457	N, N′-Dimethylthiourea
D45640-01	N, N-Dimethylthiourea
MBS5785716	N,N'-Dimethylthiourea
OR62173-01	N, N’-Dimethylthiourea
HY-W027951R-01	N, N'-Dimethylthiourea (Standard)