IMM-01

CAT: 0127-BUP12305-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP12305-03Size:100 mg

Selected

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

Quick Request Actions

CAS Number

218795-74-5

Purity

=98%

Smiles

CC(C)(C)NC(=S)N\N=C\C1=C(O)C=C(O)C=C1

Chemical Information

1-tert-butyl-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea

CAS Number	218795-74-5
PubChem CID	135445526
IUPAC Name	1-tert-butyl-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea
Molecular Formula	C12H17N3O2S
Molecular Weight	267.35
XLogP	1.9
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	315

SMILES

CC(C)(C)NC(=S)N/N=C/C1=C(C=C(C=C1)O)O

InChI

InChI=1S/C12H17N3O2S/c1-12(2,3)14-11(18)15-13-7-8-4-5-9(16)6-10(8)17/h4-7,16-17H,1-3H3,(H2,14,15,18)/b13-7+

InChIKey

LTFUAYRGVLQXKC-NTUHNPAUSA-N

Chemical Structure

2D Structure

CAS: 218795-74-5

CID: 135445526

Formula: C12H17N3O2S

MW: 267.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.35
XLogP3	1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	267.10414797
Monoisotopic Mass	267.10414797
Topological Polar Surface Area	109 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-124808-01	IMM-01
PTX26525-01	Anti-Human IL38/IL1F10 Monoclonal Antibody (IMM-ONC-01)
BA4637-50	IMM-H007
HY-123357	IMM-H004
HY-121490	IMM-02
GTR17982709	Imm Antibody
GTR19223483-01	IMM-03
WA2060	Research Grade Anti-Human IL38/IL1F10 Antibody (IMM-ONC-01)
HY-P991186	IMM-20059