Thiocarbohydrazide

CAT: 1596-AR-M04572-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04572-02Size:25 Units

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CAS Number

2231-57-4

Molecular Formula

CH6N4S

Molecular Weight

106.15

API Name

Metribuzin

Chemical Information

Thiocarbohydrazide

Thiocarbohydrazide is a thiocarbonyl compound.

CAS Number	2231-57-4
PubChem CID	2724189
IUPAC Name	1,3-diaminothiourea
Molecular Formula	CH6N4S
Molecular Weight	106.15
XLogP	-1
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	45

SMILES

C(=S)(NN)NN

InChI

InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)

InChIKey

LJTFFORYSFGNCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2231-57-4

CID: 2724189

Formula: CH6N4S

MW: 106.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.15
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	106.03131738
Monoisotopic Mass	106.03131738
Topological Polar Surface Area	108 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	45.5
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
sc-229454	Thiocarbohydrazide
D52460	1 5-Diphenyl-3-Thiocarbohydrazide