Trimethylthiourea

CAT: 0024-sc-476063Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-476063Size:100 g

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CAS Number

2489-77-2

Chemical Information

Trimethylthiourea

Prisms (from benzene or ligroin) or off-white powder. (NTP, 1992)

CAS Number	2489-77-2
PubChem CID	2779938
IUPAC Name	1,1,3-trimethylthiourea
Molecular Formula	C4H10N2S
Molecular Weight	118.20
XLogP	0.1
Topological Polar Surface Area	47.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	70

SMILES

CNC(=S)N(C)C

InChI

InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)

InChIKey

JAEZSIYNWDWMMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2489-77-2

CID: 2779938

Formula: C4H10N2S

MW: 118.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.20
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	118.05646950
Monoisotopic Mass	118.05646950
Topological Polar Surface Area	47.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70.1
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